      PROGRAM CSDPARSN
C**********************************************************************
C* Sep. 1996                                                          *
C*                      Program CSDPARS                               *
C*                                                                    *
C*                       by M. Nardelli                               *
C*  Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica,*
C*             Chimica Fisica della Universita' di Parma              *
C*  Centro di Studio per la Strutturistica Diffrattometrica del CNR.  *
C*            Viale delle Scienze 78, I-43100 Parma, Italy            *
C*                                                                    *
C*                ----------------------------                        *
C*                                                                    *
C* This program sets up the input file for PARST from the FDAT file   *
C* of the Cambridge Structural Database (CSD).                        *
C* The computer asks for the names of the input and output files that *
C* must be keyed in by the user.                                      *
C*                                                                    *
C* N.B. The output file require a minimum of editing before to be     *
C*      used. In particular instructions for L.S. planes or lines,    *
C*      rings, comparison of molecules or moieties must be added.     *
C*      In case of centrosymmetric space groups, only the origin on   *
C*      a symmetry center is considered.                              *
C*                                                                    *
C*                      SUBROUTINES                                   *
C*    INPOUT                                                          *
C*    MAIMIN                                                          *
C*    EQPCOO                                                          *
C*    BLOCK DATA: BLOCK1, BLOCK2, BLOCK3, BLOCK4, BLOCK5, BLOCK6,     *
C*                BLOCK7                                              *
C**********************************************************************
      CHARACTER*1 TIT(6),RIND(8),ATM(6,200),YA(4),STR(80),AM(4,3),
     1 STRE(27),SPGA(7)
      CHARACTER*7 SPG,SPG1(29),SPG2(124),SPG3(108),SPG4(14),SPG5(54),
     1 SPG6(6),SPG7(28),SPG8(18),SPG9(5),SPG10(7),SPG11(14),SPG12(10)
      DIMENSION V(3,200),C(3),SC(3),A(3),SA(3),IC(3),ISC(3),IA(3),
     1 ISA(3),IKC(3),IKA(3),IX(3,3),FC(3),FA(3)
      INTEGER*2 ICO(6),NP1(29),ICO1(29,6),NP2(124),ICO2(124,3,6),
     1 NP3(108),ICO3(108,3,6),NP4(14),ICO4(14,3,6),NP5(54),ICO5(54,7,6)
     2 ,NP6(6),ICO6(6,2,6),NP7(28),ICO7(28,5,6),NP8(18),ICO8(18,11,6),
     3 NP9(5),ICO9(5,11,6),NP10(7),ICO10(7,11,6),NP11(14),
     4 ICO11(14,23,6),NP12(10),ICO12(10,23,6)
      EQUIVALENCE(SPG,SPGA(1))
      COMMON/INPOU/IN,IO
     1      /GSP1/SPG1,SPG2
     2      /GSP2/SPG3
     3      /GSP3/SPG4,SPG5
     4      /GSP4/SPG6,SPG7,SPG8
     5      /GSP5/SPG9,SPG10
     6      /GSP6/SPG11
     7      /GSP7/SPG12
      COMMON/GRP1/NP1,ICO1
     1      /GRP2/NP2,ICO2
     2      /GRP3/NP3,ICO3
     3      /GRP4/NP4,ICO4
     4      /GRP5/NP5,ICO5
     5      /GRP6/NP6,ICO6
     6      /GRP7/NP7,ICO7
     7      /GRP8/NP8,ICO8
     8      /GRP9/NP9,ICO9
     9      /GRP10/NP10,ICO10
     1      /GRP11/NP11,ICO11
     2      /GRP12/NP12,ICO12
      IN=13
      IO=15
      CALL INPOUT
C-----Read first record
      READ(IN,'(1X,6A1,33X,I1,3X,I3,31X,2A1)')TIT,IZ,N,(YA(I),I=3,4)
      YA(1)='1'
      YA(2)='9'
C-----Read second record and decode cell constants
      READ(IN,'(6I6,6I1,6I2,6X,I3,A7)')IC,IA,IKC,IKA,ISC,ISA,NSP,SPG
      CALL MAIMIN(SPGA)
      DO 1 I=1,3
      IF(IKC(I).EQ.0)FC(I)=1
      IF(IKC(I).EQ.1)FC(I)=0.1
      IF(IKC(I).EQ.2)FC(I)=0.01
      IF(IKC(I).EQ.3)FC(I)=0.001
      IF(IKC(I).EQ.4)FC(I)=0.0001
      C(I)=IC(I)*FC(I)
      SC(I)=ISC(I)*FC(I)
      IF(IKA(I).EQ.0)FA(I)=1
      IF(IKA(I).EQ.1)FA(I)=0.1
      IF(IKA(I).EQ.2)FA(I)=0.01
      IF(IKA(I).EQ.3)FA(I)=0.001
      IF(IKA(I).EQ.4)FA(I)=0.0001
      A(I)=IA(I)*FA(I)
1     SA(I)=ISA(I)*FA(I)
C-----Read third record (R index)
      READ(IN,'(8A1)')RIND
2     READ(IN,'(80A1)')STR
      IF(STR(1).NE.'C')GO TO 2
C-----Read coordinates
      NR=N/3
      NR1=MOD(N,3)
      NN=0
      DO 5 I=1,NR
      READ(IN,'(4A1,1X,3I7,2(1X,4A1,1X,3I7))')(AM(L,1),L=1,4),
     1 (IX(J,1),J=1,3),(AM(L,2),L=1,4),(IX(J,2),J=1,3),(AM(L,3),L=1,4),
     2 (IX(J,3),J=1,3)
      DO 4 J=1,3
      DO 3 L=1,3
      V(L,NN+J)=IX(L,J)*0.00001
3     ATM(L,NN+J)=AM(L,J)
4     ATM(4,NN+J)=AM(4,J)
      NN=NN+3
5     CONTINUE
      IF(NR1.EQ.0)GO TO 10
      IF(NR1.EQ.1)GO TO 8
      READ(IN,'(4A1,1X,3I7,1X,4A1,1X,3I7)')(AM(L,1),L=1,4),
     1 (IX(J,1),J=1,3),(AM(L,2),L=1,4),(IX(J,2),J=1,3)
      DO 7 J=1,2
      DO 6 L=1,3
      V(L,NN+J)=IX(L,J)*0.00001
6     ATM(L,NN+J)=AM(L,J)
      ATM(4,NN+J)=AM(4,J)
7     CONTINUE
      NN=NN+2
      GO TO 10
8     READ(IN,'(4A1,1X,3I7)')(AM(L,1),L=1,4),(IX(J,1),J=1,3)
      NN=NN+1
      DO 9 L=1,3
      V(L,NN)=IX(L,1)*0.00001
9     ATM(L,NN)=AM(L,1)
      ATM(4,NN)=AM(4,1)
C-----Write the file for PARST
10    WRITE(IO,'(6A1,10X,4A1,5X,8A1)')TIT,YA,RIND
      WRITE(IO,'(A7)')SPG
      WRITE(IO,'(I3,'',2.5,4.0,0,0,0,0,0,0,1,0,1,0,1,1,1,1,1,0,0'')')N
      WRITE(IO,'(6(F8.4,'',''),6(6F8.3,'',''))') C,SC,A,SA
      WRITE(IO,'(''(1X,6A1,6F8.5)'')')
      DO 11 I=1,NN
11    WRITE(IO,'(1X,6A1,3F8.5,'' 0.00000 0.00000 0.00000'')')
     1 (ATM(L,I),L=1,6),(V(K,I),K=1,3)
C-----Write coordinates of equivalent positions
      LC=1
      LA=2
      IF(SPG.EQ.'P-1    ')LC=-1
      IF(SPG.EQ.'P1     '.OR.SPG.EQ.'P-1    ') THEN
      NT=0
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      GO TO 60
      ENDIF
      DO 12 I=1,29
      IF(SPG.EQ.SPG1(I)) GO TO 24
12    CONTINUE
      DO 13 I=1,124
      IF(SPG.EQ.SPG2(I)) GO TO 26
13    CONTINUE
      DO 14 I=1,108
      IF(SPG.EQ.SPG3(I)) GO TO 29
14    CONTINUE
      DO 15 I=1,14
      IF(SPG.EQ.SPG4(I)) GO TO 32
15    CONTINUE
      DO 16 I=1,54
      IF(SPG.EQ.SPG5(I)) GO TO 35
16    CONTINUE
      DO 17 I=1,6
      IF(SPG.EQ.SPG6(I)) GO TO 38
17    CONTINUE
      DO 18 I=1,28
      IF(SPG.EQ.SPG7(I)) GO TO 41
18    CONTINUE
      DO 19 I=1,18
      IF(SPG.EQ.SPG8(I)) GO TO 44
19    CONTINUE
      DO 20 I=1,5
      IF(SPG.EQ.SPG9(I)) GO TO 47
20    CONTINUE
      DO 21 I=1,7
      IF(SPG.EQ.SPG10(I)) GO TO 50
21    CONTINUE
      DO 22 I=1,14
      IF(SPG.EQ.SPG11(I)) GO TO 53
22    CONTINUE
      DO 23 I=1,10
      IF(SPG.EQ.SPG12(I)) GO TO 56
23    CONTINUE
      GO TO 59
24    IK=I
      IF(NP1(IK).LT.0)LC=-1
      NT=ABS(NP1(IK))
      DO 25 J=1,6
25    ICO(J)=ICO1(IK,J)
      CALL EQPCOO(ICO,STRE)
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      WRITE(IO,'(27A1)')STRE
      GO TO 60
26    IK=I
      IF(NP2(IK).LT.0)LC=-1
      NT=ABS(NP2(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 28 L=1,NT
      DO 27 J=1,6
27    ICO(J)=ICO2(IK,L,J)
      CALL EQPCOO(ICO,STRE)
28    WRITE(IO,'(27A1)')STRE
      GO TO 60
29    IK=I
      IF(NP3(IK).LT.0)LC=-1
      NT=ABS(NP3(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 31 L=1,NT
      DO 30 J=1,6
30    ICO(J)=ICO3(IK,L,J)
      CALL EQPCOO(ICO,STRE)
31    WRITE(IO,'(27A1)')STRE
      GO TO 60
32    IK=I
      IF(NP4(IK).LT.0)LC=-1
      NT=ABS(NP4(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 34 L=1,NT
      DO 33 J=1,6
33    ICO(J)=ICO4(IK,L,J)
      CALL EQPCOO(ICO,STRE)
34    WRITE(IO,'(27A1)')STRE
      GO TO 60
35    IK=I
      IF(NP5(IK).LT.0)LC=-1
      NT=ABS(NP5(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 37 L=1,NT
      DO 36 J=1,6
36    ICO(J)=ICO5(IK,L,J)
      CALL EQPCOO(ICO,STRE)
37    WRITE(IO,'(27A1)')STRE
      GO TO 60
38    IK=I
      IF(NP6(IK).LT.0)LC=-1
      NT=ABS(NP6(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 40 L=1,NT
      DO 39 J=1,6
39    ICO(J)=ICO6(IK,L,J)
      CALL EQPCOO(ICO,STRE)
40    WRITE(IO,'(27A1)')STRE
      GO TO 60
41    IK=I
      IF(NP7(IK).LT.0)LC=-1
      NT=ABS(NP7(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 43 L=1,NT
      DO 42 J=1,6
42    ICO(J)=ICO7(IK,L,J)
      CALL EQPCOO(ICO,STRE)
43    WRITE(IO,'(27A1)')STRE
      GO TO 60
44    IK=I
      IF(NP8(IK).LT.0)LC=-1
      NT=ABS(NP8(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 46 L=1,NT
      DO 45 J=1,6
45    ICO(J)=ICO8(IK,L,J)
      CALL EQPCOO(ICO,STRE)
46    WRITE(IO,'(27A1)')STRE
      GO TO 60
47    IK=I
      IF(NP9(IK).LT.0)LC=-1
      NT=ABS(NP9(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 49 L=1,NT
      DO 48 J=1,6
48    ICO(J)=ICO9(IK,L,J)
      CALL EQPCOO(ICO,STRE)
49    WRITE(IO,'(27A1)')STRE
      GO TO 60
50    IK=I
      IF(NP10(IK).LT.0)LC=-1
      NT=ABS(NP10(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 52 L=1,NT
      DO 51 J=1,6
51    ICO(J)=ICO10(IK,L,J)
      CALL EQPCOO(ICO,STRE)
52    WRITE(IO,'(27A1)')STRE
      GO TO 60
53    IK=I
      IF(NP11(IK).LT.0)LC=-1
      NT=ABS(NP11(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 55 L=1,NT
      DO 54 J=1,6
54    ICO(J)=ICO11(IK,L,J)
      CALL EQPCOO(ICO,STRE)
55    WRITE(IO,'(27A1)')STRE
      GO TO 60
56    IK=I
      IF(NP12(IK).LT.0)LC=-1
      NT=ABS(NP12(IK))
      WRITE(IO,'(I2,I3,I2)')LC,NT,LA
      DO 58 L=1,NT
      DO 57 J=1,6
57    ICO(J)=ICO12(IK,L,J)
      CALL EQPCOO(ICO,STRE)
58    WRITE(IO,'(27A1)')STRE
      GO TO 60
59    WRITE(IO,100)SPG
100   FORMAT('The space group ',A7,' is not among those considered ',
     1 'by the program'/'Introduce the equiv. pos. (Int. Tab.) by ',
     2 'editor')
60    CLOSE(UNIT=IN)
      CLOSE(UNIT=IO)
      STOP
      END
 
      SUBROUTINE INPOUT
C-----Assignes the input and output files
      CHARACTER*14 FILIO
      CHARACTER*12 STR1
      CHARACTER*8  STR2
      CHARACTER*3  STR4,STR5
      CHARACTER*2  STR3
      COMMON/INPOU/IN,IO
      STR1=' Key in the '
      STR2='put file'
      STR3='in'
      STR4='out'
      STR5=' ?>'
      WRITE(*,'(A12,A2,A8/A3)')STR1,STR3,STR2,STR5
      READ(*,'(A14)')FILIO
      OPEN(UNIT=IN,FILE=FILIO,FORM='FORMATTED')
      REWIND(UNIT=IN)
      WRITE(*,'(A12,A3,A8/A3)')STR1,STR4,STR2,STR5
      READ(*,'(A14)')FILIO
      OPEN(UNIT=IO,FILE=FILIO,FORM='FORMATTED')
      REWIND(UNIT=IO)
      RETURN
      END
 
      SUBROUTINE MAIMIN(SPGA)
C-----Changes uppercase character to lowcase characters on a string of
C-----seven characters starting from the second one
      CHARACTER*1 SPGA(7),MIN(26),MAI(26)
      DATA MIN/'a','b','c','d','e','f','g','h','i','j','k','l','m','n',
     1 'o','p','q','r','s','t','u','v','w','x','y','z'/
      DATA MAI/'A','B','C','D','E','F','G','H','I','J','K','L','M','N',
     1 'O','P','Q','R','S','T','U','V','W','X','Y','Z'/
      DO 3 I=2,7
      DO 1 J=1,26
      IF(SPGA(I).EQ.MAI(J))GO TO 2
1     CONTINUE
      GO TO 3
2     SPGA(I)=MIN(J)
3     CONTINUE
      RETURN
      END
 
      SUBROUTINE EQPCOO(ICO,STRE)
C-----Creates strings of equivalent positions suitable for PARST
      CHARACTER*1 SYMB(11,3),STRE(27)
      INTEGER*2 ICO(6)
      DATA ((SYMB(I,J),J=1,3),I=1,11) /' ',' ',' ',' ',' ','x',' ',' ',
     1 'y',' ',' ','z','1','/','2','1','/','4','3','/','4','1','/','3',
     2 '2','/','3','1','/','6','5','/','6'/
      DO 1 I=1,27
1     STRE(I)=' '
      STRE(9)=','
      STRE(18)=','
      STRE(5)='+'
      IF(ICO(2).LT.0)STRE(5)='-'
      STRE(14)='+'
      IF(ICO(4).LT.0)STRE(14)='-'
      STRE(23)='+'
      IF(ICO(6).LT.0)STRE(23)='-'
      DO 2 K=1,3
      STRE(K+1)=SYMB(ABS(ICO(1)),K)
      STRE(K+5)=SYMB(ABS(ICO(2)),K)
      STRE(K+10)=SYMB(ABS(ICO(3)),K)
      STRE(K+14)=SYMB(ABS(ICO(4)),K)
      STRE(K+19)=SYMB(ABS(ICO(5)),K)
2     STRE(K+23)=SYMB(ABS(ICO(6)),K)
      DO 4 L=1,6
      IF(STRE(1).EQ.'+')STRE(1)=' '
      DO 4 J=1,26
      IF(STRE(J).EQ.' ')THEN
      DO 3 K=J,26
3     STRE(K)=STRE(K+1)
      ENDIF
      DO 4 K=1,26
4     IF(STRE(K).EQ.','.AND.STRE(K+1).EQ.'+')STRE(K+1)=' '
      RETURN
      END
 
      BLOCK DATA BLOCK1
      CHARACTER*7 SPG1(29),SPG2(124)
      INTEGER*2 NP1(29),ICO1(29,6),NP2(124),ICO2(124,3,6)
      COMMON/GSP1/SPG1,SPG2
     1      /GRP1/NP1,ICO1
     2      /GRP2/NP2,ICO2
C-----Equivalent positions for the H.M. space group symbols
      DATA SPG1/'P2     ','P21    ','C2     ','B2     ','I2     ',
     1'Pm     ','Pc     ','Pb     ','Cm     ','Bm     ','Im     ',
     2'Cc     ','Bb     ','Aa     ','Ia     ','P2/m   ','P21/m  ',
     3'C2/m   ','B2/m   ','I2/m   ','P2/c   ','P2/b   ','P21/c  ',
     4'P21/b  ','P21/n  ','C2/c   ','I2/c   ','I2/a   ','B2/b   '/
      DATA NP1/1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,-1,-1,-1,-1,-1,-1,-1,-1,
     a -1,-1,-1,-1,-1,-1/
      DATA ((ICO1(I,J),J=1,6),I=1,9)/1,-2,1,3,1,-4,
     * 1,-2,5,3,1,-4,1,-2,1,3,1,-4,1,-2,1,-3,1,4,1,-2,1,3,1,-4,
     * 1,2,1,-3,1,4,1,2,1,-3,5,4,1,2,5,3,1,-4,1,2,1,-3,1,4/
      DATA ((ICO1(I,J),J=1,6),I=10,21)/
     * 1,2,1,3,1,-4,1,2,1,-3,1,4,1,2,1,-3,5,4,1,2,5,3,1,-4,
     * 5,2,1,-3,1,4,1,2,1,-3,5,4,1,2,1,-3,1,4,1,2,5,-3,1,4,
     * 1,2,1,-3,1,4,1,2,1,3,1,-4,1,2,1,-3,1,4,1,2,1,-3,5,4/
      DATA ((ICO1(I,J),J=1,6),I=22,29)/
     * 1,2,5,3,1,-4,1,2,5,-3,5,4,1,2,5,3,5,-4,5,2,5,-3,5,4,
     * 1,2,1,-3,5,4,1,2,1,-3,5,4,5,2,1,-3,1,4,1,2,5,3,1,-4/
      DATA SPG2/ 'P222   ','P2221  ','P2122  ','P2212  ','P2212  ',
     1 'P2221  ','P2122  ','P21212 ','P22121 ','P21221 ','P212121',
     2 'C2221  ','C2221  ','A2122  ','B2212  ','B2212  ','C2221  ',
     3 'A2122  ','C222   ','F222   ','I222   ','I212121','Pmm2   ',
     4 'P2mm   ','Pm2m   ','Pmc21  ','P21ma  ','Pb21m  ','Pm21b  ',
     5 'Pcm21  ','P21am  ','Pcc2   ','P2aa   ','Pb2b   ','Pma2   ',
     6 'P2mb   ','Pc2m   ','Pm2a   ','Pbm2   ','P2cm   ','Pca21  ',
     7 'P21ab  ','Pc21b  ','Pb21a  ','Pbc21  ','P21ca  ','Pnc2   ',
     8 'P2na   ','Pb2n   ','Pn2b   ','Pcn2   ','P2an   ','Pmn21  ',
     9 'P21mn  ','Pn21m  ','Pm21n  ','Pnm21  ','P21nm  ','Pba2   ',
     1 'P2cb   ','Pc2a   ','Pna21  ','P21nb  ','Pc21n  ','Pn21a  ',
     2 'Pbn21  ','P21cn  ','Pnn2   ','P2nn   ','Pn2n   ','Cmm2   ',
     3 'A2mm   ','Bm2m   ','Cmc21  ','A21ma  ','Bb21m  ','Bm21b  ',
     4 'Ccm21  ','A21am  ','Ccc2   ','A2aa   ','Bb2b   ','Amm2   ',
     5 'B2mm   ','Cm2m   ','Am2m   ','Bmm2   ','C2mm   ','Abm2   ',
     6 'B2cm   ','Cm2a   ','Ac2m   ','Bma2   ','C2mb   ','Ama2   ',
     7 'B2mb   ','Cc2m   ','Am2a   ','Bbm2   ','C2cm   ','Aba2   ',
     8 'B2cb   ','Cc2a   ','Ac2a   ','Bba2   ','C2cb   ','Fmm2   ',
     9 'F2mm   ','Fm2m   ','Fdd2   ','F2dd   ','Fd2d   ','Imm2   ',
     1 'I2mm   ','Im2m   ','Iba2   ','I2cb   ','Ic2a   ','Ima2   ',
     2 'I2mb   ','Ic2m   ','Im2a   ','Ibm2   ','I2cm   '/
      DATA NP2/3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,
     a 3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,
     b 3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,
     c 3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3,3/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=1,8)/
     * 1,-2,1,-3,1,4,1,2,1,-3,1,-4,1,-2,1,3,1,-4,1,2,1,-3,1,-4,
     * 1,-2,1,-3,5,4,1,-2,1,3,5,-4,1,-2,1,3,1,-4,5,2,1,-3,1,-4,
     * 5,-2,1,-3,1,4,1,-2,1,-3,1,4,1,-2,5,3,1,-4,1,2,5,-3,1,-4,
     * 1,2,1,-3,1,-4,1,-2,5,3,1,-4,1,-2,5,-3,1,4,1,-2,1,3,1,-4,
     * 1,-2,1,-3,5,4,1,2,1,-3,5,-4,1,-2,1,-3,1,4,5,2,1,-3,1,-4,
     * 5,-2,1,3,1,-4,1,-2,1,-3,1,4,5,2,5,-3,1,-4,5,-2,5,3,1,-4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=9,16)/
     * 1,2,1,-3,1,-4,1,-2,5,3,5,-4,1,-2,5,-3,5,4,1,-2,1,3,1,-4,
     * 5,-2,1,-3,5,4,5,2,1,-3,5,-4,5,-2,1,-3,5,4,5,2,5,-3,1,-4,
     * 1,-2,5,3,5,-4,1,2,1,-3,1,-4,1,-2,1,-3,5,4,1,-2,1,3,5,-4,
     * 1,2,1,-3,1,-4,1,-2,1,-3,5,4,1,-2,1,3,5,-4,1,-2,1,3,1,-4,
     * 5,2,1,-3,1,-4,5,-2,1,-3,1,4,1,-2,1,-3,1,4,1,-2,5,3,1,-4,
     * 1,2,5,-3,1,-4,1,2,1,-3,1,-4,1,-2,5,3,1,-4,1,-2,5,-3,1,4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=17,24)/
     * 1,-2,1,3,1,-4,1,-2,1,-3,5,4,1,2,1,-3,5,-4,1,-2,1,-3,1,4,
     * 5,2,1,-3,1,-4,5,-2,1,3,1,-4,1,-2,1,-3,1,4,1,2,1,-3,1,-4,
     * 1,-2,1,3,1,-4,1,-2,1,-3,1,4,1,2,1,-3,1,-4,1,-2,1,3,1,-4,
     * 1,-2,1,-3,1,4,1,2,1,-3,1,-4,1,-2,1,3,1,-4,5,-2,1,-3,5,4,
     * 5,2,5,-3,1,-4,1,-2,5,3,5,-4,1,-2,1,-3,1,4,1,2,1,-3,1,4,
     * 1,-2,1,3,1,4,1,2,1,-3,1,-4,1,2,1,3,1,-4,1,2,1,-3,1,4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=25,32)/
     * 1,-2,1,3,1,-4,1,-2,1,3,1,4,1,2,1,3,1,-4,1,-2,1,3,1,4,
     * 1,-2,1,-3,5,4,1,2,1,-3,5,4,1,2,1,-3,1,4,5,2,1,-3,1,-4,
     * 5,2,1,3,1,-4,1,2,1,3,1,-4,1,-2,5,3,1,-4,1,-2,5,3,1,4,
     * 1,-2,1,3,1,4,1,-2,5,3,1,-4,1,2,5,3,1,-4,1,2,1,-3,1,4,
     * 1,-2,1,-3,5,4,1,-2,1,3,5,4,1,2,1,3,1,-4,5,2,1,-3,1,-4,
     * 5,2,1,-3,1,4,1,-2,1,-3,1,4,1,-2,1,3,5,4,1,2,1,-3,5,4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=33,40)/
     * 1,2,1,-3,1,-4,5,2,1,-3,1,4,5,2,1,3,1,-4,1,-2,1,3,1,-4,
     * 1,2,5,3,1,-4,1,-2,5,3,1,4,1,-2,1,-3,1,4,5,-2,1,3,1,4,
     * 5,2,1,-3,1,4,1,2,1,-3,1,-4,1,2,5,-3,1,4,1,2,5,3,1,-4,
     * 1,-2,1,3,1,-4,1,2,1,3,5,-4,1,-2,1,3,5,4,1,-2,1,3,1,-4,
     * 5,-2,1,3,1,4,5,2,1,3,1,-4,1,-2,1,-3,1,4,1,2,5,-3,1,4,
     * 1,-2,5,3,1,4,1,2,1,-3,1,-4,1,2,1,3,5,-4,1,2,1,-3,5,4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=41,48)/
     * 1,-2,1,-3,5,4,5,-2,1,3,5,4,5,2,1,-3,1,4,5,2,1,-3,1,-4,
     * 5,2,5,-3,1,4,1,2,5,3,1,-4,1,-2,5,3,1,-4,1,2,5,3,5,-4,
     * 1,-2,1,3,5,4,1,-2,5,3,1,-4,5,-2,5,3,1,4,5,2,1,3,1,-4,
     * 1,-2,1,-3,5,4,1,2,5,-3,5,4,1,-2,5,3,1,4,5,2,1,-3,1,-4,
     * 5,2,1,3,5,-4,1,2,1,-3,5,4,1,-2,1,-3,1,4,1,-2,5,3,5,4,
     * 1,2,5,-3,5,4,1,2,1,-3,1,-4,5,2,1,-3,5,4,5,2,1,3,5,-4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=49,56)/
     * 1,-2,1,3,1,-4,5,2,5,3,1,-4,5,-2,5,3,1,4,1,-2,1,3,1,-4,
     * 1,-2,5,3,5,4,1,2,5,3,5,-4,1,-2,1,-3,1,4,5,2,1,-3,5,4,
     * 5,-2,1,3,5,4,1,2,1,-3,1,-4,5,2,5,3,1,-4,5,2,5,-3,1,4,
     * 1,-2,1,3,1,4,5,-2,1,-3,5,4,5,2,1,-3,5,4,1,2,1,-3,1,4,
     * 5,2,5,-3,1,-4,5,2,5,3,1,-4,1,2,1,3,1,-4,1,-2,5,3,5,-4,
     * 1,-2,5,3,5,4,1,-2,1,3,1,4,5,-2,5,3,1,-4,5,2,5,3,1,-4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=57,64)/
     * 1,2,1,-3,1,4,1,-2,5,-3,5,4,1,-2,5,3,5,4,1,2,1,3,1,-4,
     * 5,2,1,-3,5,-4,5,2,1,-3,5,4,1,-2,1,-3,1,4,5,-2,5,3,1,4,
     * 5,2,5,-3,1,4,1,2,1,-3,1,-4,1,2,5,-3,5,4,1,2,5,3,5,-4,
     * 1,-2,1,3,1,-4,5,2,1,3,5,-4,5,-2,1,3,5,4,1,-2,1,-3,5,4,
     * 5,-2,5,3,5,4,5,2,5,-3,1,4,5,2,1,-3,1,-4,5,2,5,-3,5,4,
     * 1,2,5,3,5,-4,1,-2,5,3,1,-4,5,2,5,3,5,-4,5,-2,1,3,5,4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=65,72)/
     * 1,-2,5,3,1,-4,5,-2,5,3,5,4,5,2,1,3,5,-4,1,-2,1,-3,5,4,
     * 5,2,5,-3,5,4,5,-2,5,3,1,4,5,2,1,-3,1,-4,5,2,5,3,5,-4,
     * 1,2,5,-3,5,4,1,-2,1,-3,1,4,5,-2,5,3,5,4,5,2,5,-3,5,4,
     * 1,2,1,-3,1,-4,5,2,5,-3,5,4,5,2,5,3,5,-4,1,-2,1,3,1,-4,
     * 5,2,5,3,5,-4,5,-2,5,3,5,4,1,-2,1,-3,1,4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,2,1,-3,1,-4,1,2,1,-3,1,4,1,2,1,3,1,-4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=73,80)/
     * 1,-2,1,3,1,-4,1,2,1,3,1,-4,1,-2,1,3,1,4,1,-2,1,3,1,4,
     * 1,-2,1,-3,5,4,1,2,1,-3,5,4,1,2,1,-3,1,4,5,2,1,-3,1,-4,
     * 5,2,1,3,1,-4,1,2,1,3,1,-4,1,-2,5,3,1,-4,1,-2,5,3,1,4,
     * 1,-2,1,3,1,4,1,-2,5,3,1,-4,1,2,5,3,1,-4,1,2,1,-3,1,4,
     * 1,-2,1,-3,5,4,1,-2,1,3,5,4,1,2,1,3,1,-4,5,2,1,-3,1,-4,
     * 5,2,1,-3,1,4,1,-2,1,-3,1,4,1,-2,1,3,5,4,1,2,1,-3,5,4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=81,88)/
     * 1,2,1,-3,1,-4,5,2,1,-3,1,4,5,2,1,3,1,-4,1,-2,1,3,1,-4,
     * 1,2,5,3,1,-4,1,-2,5,3,1,4,1,-2,1,-3,1,4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,2,1,-3,1,-4,1,2,1,-3,1,4,1,2,1,3,1,-4,
     * 1,-2,1,3,1,-4,1,2,1,3,1,-4,1,-2,1,3,1,4,1,-2,1,3,1,-4,
     * 1,-2,1,3,1,4,1,2,1,3,1,-4,1,-2,1,-3,1,4,1,2,1,-3,1,4,
     * 1,-2,1,3,1,4,1,2,1,-3,1,-4,1,2,1,3,1,-4,1,2,1,-3,1,4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=89,96)/
     * 1,-2,1,-3,1,4,1,-2,5,3,1,4,1,2,5,-3,1,4,1,2,1,-3,1,-4,
     * 1,2,1,-3,5,4,1,2,1,3,5,-4,1,-2,1,3,1,-4,5,2,1,3,1,-4,
     * 5,-2,1,3,1,4,1,-2,1,3,1,-4,1,-2,1,3,5,4,1,2,1,3,5,-4,
     * 1,-2,1,-3,1,4,5,2,1,-3,1,4,5,-2,1,3,1,4,1,2,1,-3,1,-4,
     * 1,2,5,3,1,-4,1,2,5,-3,1,4,1,-2,1,-3,1,4,5,-2,1,3,1,4,
     * 5,2,1,-3,1,4,1,2,1,-3,1,-4,1,2,5,-3,1,4,1,2,5,3,1,-4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=97,104)/
     * 1,-2,1,3,1,-4,1,2,1,3,5,-4,1,-2,1,3,5,4,1,-2,1,3,1,-4,
     * 5,-2,1,3,1,4,5,2,1,3,1,-4,1,-2,1,-3,1,4,1,2,5,-3,1,4,
     * 1,-2,5,3,1,4,1,2,1,-3,1,-4,1,2,1,3,5,-4,1,2,1,-3,5,4,
     * 1,-2,1,-3,1,4,5,-2,5,3,1,4,5,2,5,-3,1,4,1,2,1,-3,1,-4,
     * 1,2,5,-3,5,4,1,2,5,3,5,-4,1,-2,1,3,1,-4,5,2,1,3,5,-4,
     * 5,-2,1,3,5,4,1,-2,1,3,1,-4,5,-2,1,3,5,4,5,2,1,3,5,-4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=105,112)/
     * 1,-2,1,-3,1,4,5,2,5,-3,1,4,5,-2,5,3,1,4,1,2,1,-3,1,-4,
     * 1,2,5,3,5,-4,1,2,5,-3,5,4,1,-2,1,-3,1,4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,2,1,-3,1,-4,1,2,1,-3,1,4,1,2,1,3,1,-4,
     * 1,-2,1,3,1,-4,1,2,1,3,1,-4,1,-2,1,3,1,4,1,-2,1,-3,1,4,
     * 6,-2,6,3,6,4,6,2,6,-3,6,4,1,2,1,-3,1,-4,6,2,6,-3,6,4,
     * 6,2,6,3,6,-4,1,-2,1,3,1,-4,6,2,6,3,6,-4,6,-2,6,3,6,4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=113,120)/
     * 1,-2,1,-3,1,4,1,-2,1,3,1,4,1,2,1,-3,1,4,1,2,1,-3,1,-4,
     * 1,2,1,-3,1,4,1,2,1,3,1,-4,1,-2,1,3,1,-4,1,2,1,3,1,-4,
     * 1,-2,1,3,1,4,1,-2,1,-3,1,4,1,-2,1,3,5,4,1,2,1,-3,5,4,
     * 1,2,1,-3,1,-4,5,2,1,-3,1,4,5,2,1,3,1,-4,1,-2,1,3,1,-4,
     * 1,2,5,3,1,-4,1,-2,5,3,1,4,1,-2,1,-3,1,4,5,-2,1,3,1,4,
     * 5,2,1,-3,1,4,1,2,1,-3,1,-4,1,2,5,-3,1,4,1,2,5,3,1,-4/
      DATA (((ICO2(I,J,K),K=1,6),J=1,3),I=121,124)/
     * 1,-2,1,3,1,-4,1,2,1,3,5,-4,1,-2,1,3,5,4,1,-2,1,3,1,-4,
     * 5,-2,1,3,1,4,5,2,1,3,1,-4,1,-2,1,-3,1,4,1,2,5,-3,1,4,
     * 1,-2,5,3,1,4,1,2,1,-3,1,-4,1,2,1,3,5,-4,1,2,1,-3,5,4/
      END
 
      BLOCK DATA BLOCK2
C-----Equivalent positions for the H.M. space group symbols
      CHARACTER*7 SPG3(108)
      INTEGER*2 NP3(108),ICO3(108,3,6)
      COMMON/GSP2/SPG3
     1      /GRP3/NP3,ICO3
      DATA NP3/-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,
     a   -3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,
     b   -3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,
     c   -3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,
     d   -3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,-3,
     e   -3,-3,-3,-3,-3,-3,-3,-3,-3,-3/
      DATA SPG3/ 'Pmmm   ','Pnnn   ','Pccm   ','Pmaa   ','Pbmb   ',
     1 'Pban   ','Pncb   ','Pcna   ','Pmma   ','Pbmm   ','Pmcm   ',
     2 'Pmam   ','Pmmb   ','Pcmm   ','Pnna   ','Pbnn   ','Pncn   ',
     3 'Pnan   ','Pnnb   ','Pcnn   ','Pmna   ','Pbmn   ','Pncm   ',
     4 'Pman   ','Pnmb   ','Pcnm   ','Pcca   ','Pbaa   ','Pbcb   ',
     5 'Pbab   ','Pccb   ','Pcaa   ','Pbam   ','Pmcb   ','Pcma   ',
     6 'Pccn   ','Pnaa   ','Pbnb   ','Pbcm   ','Pmca   ','Pbma   ',
     7 'Pcmb   ','Pcam   ','Pmab   ','Pnnm   ','Pmnn   ','Pnmn   ',
     8 'Pmmn   ','Pnmm   ','Pmnm   ','Pbcn   ','Pnab   ','Pnca   ',
     9 'Pbna   ','Pcnb   ','Pcan   ','Pbca   ','Pcab   ','Pnma   ',
     1 'Pbnm   ','Pmcn   ','Pnam   ','Pmnb   ','Pcmn   ','Cmcm   ',
     2 'Amma   ','Bbmm   ','Bmmb   ','Ccmm   ','Amam   ','Cmca   ',
     3 'Abma   ','Bbcm   ','Bmab   ','Ccmb   ','Acam   ','Cmmm   ',
     4 'Ammm   ','Bmmm   ','Cccm   ','Amaa   ','Bbmb   ','Cmma   ',
     5 'Abmm   ','Bmcm   ','Bmam   ','Cmmb   ','Acmm   ','Ccca   ',
     6 'Abaa   ','Bbcb   ','Bbab   ','Cccb   ','Acaa   ','Fmmm   ',
     7 'Fddd   ','Immm   ','Ibam   ','Imcb   ','Icma   ','Ibca   ',
     8 'Icab   ','Imma   ','Ibmm   ','Imcm   ','Imam   ','Immb   ',
     9 'Icmm   '/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=1,8)/
     * 1,2,1,3,1,-4,1,-2,1,3,1,4,1,2,1,-3,1, 4,1,-2,5,3,5,4,
     * 5,2,1,-3,5,4,5,2,5,3,1,-4,1,2,1,3,1,-4,1,2,1,-3,5,-4,
     * 1,-2,1,3,5,-4,1,-2,1,3,1,4,5,-2,1,3,1,-4,5,-2,1,-3,1,4,
     * 1,2,1,-3,1,4,1,-2,5,-3,1,4,1,2,5,-3,1,-4,5,-2,5,-3,1,4,
     * 5,-2,1,3,1,-4,1,2,5,-3,1,-4,1,2,5,-3,5,-4,1,-2,5,-3,1,4,
     * 1,-2,1,3,5,-4,5,-2,1,3,5,-4,1,2,1,-3,5,-4,5,-2,1,-3,1,4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=9,16)/
     * 1,2,1,-3,1,4,5,-2,1,3,1,4,5,2,1,3,1,-4,1,2,1,3,1,-4,
     * 1,2,5,-3,1,4,1,-2,5,3,1,4,1,-2,1,3,1,4,1,2,1,3,5,-4,
     * 1,2,1,-3,5,4,1,2,1,3,1,-4,5,-2,1,3,1,4,5,2,1,-3,1,4,
     * 1,-2,1,3,1,4,1,2,5,-3,1,4,1,2,5,3,1,-4,1,2,1,-3,1,4,
     * 1,2,1,3,5,-4,1,-2,1,3,5,4,5,-2,1,-3,1,4,1,2,5,-3,5,-4,
     * 5,-2,5,3,5,-4,1,2,5,-3,1,-4,5,-2,1,3,5,-4,5,-2,5,-3,5,4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=17,24)/
     * 1,-2,1,3,5,-4,5,-2,5,-3,1,4,5,2,5,-3,5,-4,5,-2,1,3,1,-4,
     * 1,2,5,-3,5,-4,5,-2,5,-3,5,4,1,-2,5,-3,1,4,5,-2,1,3,5,-4,
     * 5,2,5,-3,5,-4,1,2,1,-3,5,-4,5,-2,5,-3,1,4,5,-2,5,3,5,-4,
     * 1,-2,1,3,1,4,5,-2,1,3,5,-4,5,-2,1,-3,5,4,1,2,1,-3,1,4,
     * 5,-2,5,-3,1,4,5,2,5,-3,1,-4,1,2,1,3,1,-4,1,2,5,-3,5,-4,
     * 1,-2,5,3,5,-4,1,-2,1,3,1,4,5,-2,5,-3,1,4,5,-2,5,3,1,-4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=25,32)/
     * 1,2,1,-3,1,4,1,2,5,-3,5,-4,1,-2,5,-3,5,4,1,2,1,3,1,-4,
     * 5,-2,1,3,5,-4,5,2,1,-3,5,-4,5,-2,1,-3,1,4,5,2,1,-3,5,-4,
     * 1,-2,1,3,5,-4,1,2,5,-3,1,-4,5,-2,5,3,1,-4,5,-2,1,-3,1,4,
     * 1,-2,1,3,5,-4,1,-2,5,-3,5,4,1,2,5,-3,1,-4,5,-2,1,3,1,-4,
     * 5,2,5,-3,1,-4,1,-2,5,-3,1,4,1,-2,5,-3,1,4,1,-2,5,3,5,-4,
     * 1,2,1,-3,5,-4,1,2,1,-3,5,-4,5,-2,1,-3,5,4,5,-2,1,3,1,-4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=33,40)/
     * 1,-2,1,-3,1,4,5,2,5,-3,1,-4,5,-2,5,3,1,-4,1,2,1,-3,1,-4,
     * 1,-2,5,3,5,-4,1,-2,5,-3,5,4,1,-2,1,3,1,-4,5,-2,1,-3,5,4,
     * 5,2,1,-3,5,-4,5,-2,5,-3,1,4,5,2,1,-3,5,-4,1,-2,5,3,5,-4,
     * 1,2,5,-3,5,-4,5,-2,5,3,1,-4,5,-2,1,-3,5,4,5,-2,1,3,5,-4,
     * 1,-2,5,-3,5,4,5,2,5,-3,1,-4,1,2,1,3,5,-4,1,2,5,-3,1,-4,
     * 1,2,5,-3,5,4,5,-2,1,3,1,4,1,-2,1,3,5,-4,5,2,1,3,5,-4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=41,48)/
     * 1,2,5,-3,1,4,5,-2,1,-3,1,4,5,-2,5,3,1,4,1,2,5,-3,1,4,
     * 1,2,1,-3,5,-4,1,2,5,3,5,-4,1,2,1,3,5,-4,5,-2,1,3,1,-4,
     * 5,-2,1,3,5,4,5,-2,1,3,1,4,1,-2,5,-3,1,4,5,2,5,-3,1,4,
     * 1,-2,1,-3,1,4,5,2,5,-3,5,-4,5,-2,5,3,5,-4,1,2,1,-3,1,-4,
     * 5,-2,5,3,5,-4,5,-2,5,-3,5,4,1,-2,1,3,1,-4,5,-2,5,-3,5,4,
     * 5,2,5,-3,5,-4,5,-2,1,3,1,4,1,2,5,-3,1,4,5,-2,5,-3,1,4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=49,56)/
     * 1,2,5,-3,1,4,1,2,1,3,5,-4,1,2,5,-3,5,-4,1,2,1,3,5,-4,
     * 5,-2,1,3,1,4,5,-2,1,3,5,-4,5,-2,5,3,1,4,1,2,1,-3,5,4,
     * 5,-2,5,-3,5,4,1,2,5,3,5,-4,5,2,1,-3,1,4,5,2,5,-3,5,-4,
     * 1,2,5,-3,5,4,5,2,1,3,1,-4,5,2,5,-3,5,-4,5,2,1,3,5,-4,
     * 1,-2,5,3,1,4,5,-2,5,3,5,-4,5,-2,1,3,5,4,1,2,5,3,1,-4,
     * 5,-2,5,3,5,-4,5,2,5,-3,1,4,1,-2,1,3,5,4,5,-2,5,-3,5,4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=57,64)/
     * 5,2,5,-3,1,-4,1,-2,5,3,5,-4,5,-2,1,-3,5,4,5,2,1,-3,5,-4,
     * 1,-2,5,-3,5,4,5,-2,5,3,1,-4,5,2,5,-3,5,-4,1,-2,5,3,1,-4,
     * 5,-2,1,-3,5,4,5,-2,5,3,5,-4,1,-2,1,-3,5,4,5,2,5,-3,1,-4,
     * 5,-2,5,-3,5,4,5,2,1,-3,1,-4,1,-2,5,3,5,-4,5,2,5,-3,5,-4,
     * 1,-2,1,-3,5,4,5,-2,5,3,1,-4,5,-2,5,3,5,-4,5,2,1,-3,1,-4,
     * 1,-2,5,-3,5,4,5,-2,5,-3,5,4,1,-2,5,3,1,-4,5,2,1,-3,5,-4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=65,72)/
     * 1,-2,1,3,1,4,1,2,1,3,5,-4,1,2,1,-3,5,4,1,2,1,-3,1,4,
     * 5,-2,1,3,1,4,5,2,1,3,1,-4,1,2,1,3,1,-4,1,2,5,-3,1,4,
     * 1,-2,5,3,1,4,1,-2,1,3,1,4,1,2,5,-3,1,4,1,2,5,3,1,-4,
     * 1,2,1,-3,1,4,1,2,1,3,5,-4,1,-2,1,3,5,4,1,2,1,3,1,-4,
     * 5,-2,1,3,1,4,5,2,1,-3,1,4,1,-2,1,3,1,4,1,2,5,-3,5,4,
     * 1,2,5,3,5,-4,1,2,1,-3,1,4,5,2,1,3,5,-4,5,-2,1,3,5,4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=73,80)/
     * 1,2,1,3,1,-4,5,-2,5,3,1,4,5,2,5,-3,1,4,1,-2,1,3,1,4,
     * 1,2,5,3,5,-4,1,2,5,-3,5,4,1,2,1,-3,1,4,5,-2,1,3,5,4,
     * 5,2,1,3,5,-4,1,2,1,3,1,-4,5,2,5,-3,1,4,5,-2,5,3,1,4,
     * 1,-2,1,-3,1,4,1,-2,1,3,1,4,1,2,1,-3,1,4,1,2,1,-3,1,-4,
     * 1,2,1,-3,1,4,1,2,1,3,1,-4,1,-2,1,3,1,-4,1,2,1,3,1,-4,
     * 1,-2,1,3,1,4,1,-2,1,-3,1,4,1,-2,1,3,5,-4,1,2,1,-3,5,-4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=81,88)/
     * 1,2,1,-3,1,-4,5,-2,1,-3,1,4,5,-2,1,3,1,-4,1,-2,1,3,1,-4,
     * 1,2,5,-3,1,-4,1,-2,5,-3,1,4,1,2,1,-3,1,-4,5,-2,1,3,1,-4,
     * 5,-2,1,-3,1,4,1,-2,1,3,1,-4,1,-2,5,-3,1,4,1,2,5,-3,1,-4,
     * 1,-2,1,-3,1,4,1,2,1,-3,5,-4,1,-2,1,3,5,-4,1,2,1,-3,1,-4,
     * 5,-2,1,-3,1,4,5,-2,1,3,1,-4,1,-2,1,3,1,-4,1,2,5,-3,1,-4,
     * 1,-2,5,-3,1,4,1,-2,1,-3,1,4,1,-2,1,3,5,-4,1,2,1,-3,5,-4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=89,96)/
     * 5,-2,1,3,5,4,5,2,5,-3,5,4,1,-2,5,-3,1,4,5,2,5,-3,1,4,
     * 5,2,5,3,5,-4,1,2,1,-3,5,-4,1,2,5,3,5,-4,5,-2,5,3,5,4,
     * 5,-2,1,3,1,-4,5,-2,5,3,1,4,5,2,5,3,5,-4,1,-2,1,3,5,-4,
     * 1,2,5,-3,5,4,5,-2,5,3,5,4,5,-2,1,-3,1,4,5,2,1,3,5,-4,
     * 5,2,5,-3,5,4,1,2,5,-3,1,-4,1,2,1,-3,1,-4,1,-2,1,3,1,-4,
     * 1,-2,1,-3,1,4,1,2,6,-3,6,-4,6,-2,1,3,6,-4,6,-2,6,-3,1,4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=97,104)/
     * 1,2,1,-3,1,-4,1,-2,1,3,1,-4,1,-2,1,-3,1,4,1,-2,1,-3,1,4,
     * 1,-2,1,3,5,-4,1,2,1,-3,5,-4,1,2,1,-3,1,-4,5,-2,1,-3,1,4,
     * 5,-2,1,3,1,-4,1,-2,1,3,1,-4,1,2,5,-3,1,-4,1,-2,5,-3,1,4,
     * 1,2,1,-3,5,-4,5,-2,1,3,1,-4,1,-2,5,-3,1,4,1,2,5,-3,1,-4,
     * 5,-2,1,-3,1,4,1,-2,1,3,5,-4,1,2,1,-3,1,-4,1,2,5,3,1,-4,
     * 1,2,5,-3,1,4,1,-2,1,3,1,-4,1,-2,1,3,5,4,1,2,1,3,5,-4/
      DATA (((ICO3(I,J,K),K=1,6),J=1,3),I=105,108)/
     * 1,-2,1,-3,1,4,5,2,1,-3,1,4,5,-2,1,3,1,4,1,2,1,-3,1,-4,
     * 1,2,1,-3,5,4,1,2,1,3,5,-4,1,-2,1,3,1,-4,5,2,1,3,1,-4,
     * 5,-2,1,3,1,4,1,-2,1,-3,1,4,1,-2,5,3,1,4,1,2,5,-3,1,4/
      END
 
      BLOCK DATA BLOCK3
C-----Equivalent positions for the H.M. space group symbols
      CHARACTER*7 SPG4(14),SPG5(54)
      INTEGER*2 NP4(14),ICO4(14,3,6),NP5(54),ICO5(54,7,6)
      COMMON/GSP3/SPG4,SPG5
     1      /GRP4/NP4,ICO4
     2      /GRP5/NP5,ICO5
      DATA NP4/3,3,3,3,3,3,3,3,-3,-3,-3,-3,-3,-3/
      DATA SPG4/ 'P4     ','P41    ','P42    ','P43    ','I4     ',
     1 'I41    ','P-4    ','I-4    ','P4/m   ','P42/m  ','P4/n   ',
     2 'P42/n  ','I4/m   ','I41/a  '/
      DATA (((ICO4(I,J,K),K=1,6),J=1,3),I=1,7)/
     * 1,-2,1,-3,1,4,1,3,1,-2,1,4,1,-3,1,2,1,4,1,-2,1,-3,5,4,
     * 1,-3,1,2,6,4,1,3,1,-2,7,4,1,-2,1,-3,1,4,1,-3,1,2,5,4,
     * 1,3,1,-2,5,4,1,-2,1,-3,5,4,1,-3,1,2,7,4,1,3,1,-2,6,4,
     * 1,-2,1,-3,1,4,1,-3,1,2,1,4,1,3,1,-2,1,4,1,-2,1,-3,1,4,
     * 1,-3,5,2,6,4,1,3,5,-2,6,4,1,-2,1,-3,1,4,1,3,1,-2,1,-4,
     * 1,-3,1,2,1,-4/
      DATA (((ICO4(I,J,K),K=1,6),J=1,3),I=8,14)/
     * 1,-2,1,-3,1,4,1,3,1,-2,1,-4,1,-3,1,2,1,-4,
     * 1,2,1,3,1,-4,1,-3,1,2,1,4,1,3,1,-2,1,4,1,-2,1,-3,1,4,
     * 1,-3,1,2,5,4,1,3,1,-2,5,4,5,-2,5,-3,1,4,5,-3,1,2,1,4,
     * 1,3,5,-2,1,4,5,-2,5,-3,1,4,1,-3,5,2,5,4,5,3,1,-2,5,4,
     * 1,2,1,3,1,-4,1,-3,1,2,1,4,1,3,1,-2,1,4,1,2,5,3,1,-4,
     * 7,-3,6,2,6,4,6,3,6,-2,6,4/
      DATA NP5/7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,7,
     a 7,7,7,7,7,7,7,-7,-7,-7,-7,-7,-7,-7,-7,-7,-7,-7,-7,-7,-7,-7,-7,
     b -7,-7,-7,-7/
      DATA SPG5/ 'P422   ','P4212  ','P4122  ','P41212 ','P4222  ',
     1 'P42212 ','P4322  ','P43212 ','I422   ','I4122  ','P4mm   ',
     2 'P4bm   ','P42cm  ','P42nm  ','P4cc   ','P4nc   ','P42mc  ',
     3 'P42bc  ','I4mm   ','I4cm   ','I41md  ','I41cd  ','P-42m  ',
     4 'P-42c  ','P-421m ','P-421c ','P-4m2  ','P-4c2  ','P-4b2  ',
     5 'P-4n2  ','I-4m2  ','I-4c2  ','I-42m  ','I-42d  ','P4/mmm ',
     6 'P4/mcc ','P4/nbm ','P4/nnc ','P4/mbm ','P4/mnc ','P4/nmm ',
     8 'P4/ncc ','P42/mmc','P42/mcm','P42/nbc','P42/nnm','P42/mbc',
     9 'P42/mnm','P42/nmc','P42/ncm','I4/mmm ','I4/mcm ','I41/amd',
     1 'I41/acd'/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=1,3)/
     * 1,-2,1,-3,1,4,1,-2,1,3,1,-4,1,2,1,-3,1,-4,1,-3,1,-2,1,-4,
     * 1,3,1,2,1,-4,1,3,1,-2,1,4,1,-3,1,2,1,4,1,-2,1,-3,1,4,
     * 5,-2,5,3,1,-4,5,2,5,-3,1,-4,1,3,1,2,1,-4,1,-3,1,-2,1,-4,
     * 5,3,5,-2,1,4,5,-3,5,2,1,4,1,-2,1,-3,5,4,1,-3,1,2,6,4,
     * 1,3,1,-2,7,4,1,-2,1,3,1,-4,1,2,1,-3,5,-4,1,-3,1,-2,6,-4,
     * 1,3,1,2,7,-4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=4,6)/
     * 1,-2,1,-3,5,4,5,-3,5,2,6,4,5,3,5,-2,7,4,
     * 1,3,1,2,1,-4,1,-3,1,-2,5,-4,5,-2,5,3,6,-4,5,2,5,-3,7,-4,
     * 1,-2,1,-3,1,4,1,-3,1,2,5,4,1,3,1,-2,5,4,1,-2,1,3,1,-4,
     * 1,2,1,-3,1,-4,1,3,1,2,5,-4,1,-3,1,-2,5,-4,1,-2,1,-3,1,4,
     * 5,-2,5,3,5,-4,5,2,5,-3,5,-4,1,3,1,2,1,-4,1,-3,1,-2,1,-4,
     * 5,-3,5,2,5,4,5,3,5,-2,5,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=7,9)/
     * 1,-2,1,-3,5,4,1,-3,1,2,7,4,
     * 1,3,1,-2,6,4,1,-2,1,3,1,-4,1,2,1,-3,5,-4,1,-3,1,-2,7,-4,
     * 1,3,1,2,6,-4,1,-2,1,-3,5,4,5,-3,5,2,7,4,5,3,5,-2,6,4,
     * 1,3,1,2,1,-4,1,-3,1,-2,5,-4,5,-2,5,3,7,-4,5,2,5,-3,6,-4,
     * 1,-2,1,-3,1,4,1,-2,1,3,1,-4,1,2,1,-3,1,-4,1,3,1,2,1,-4,
     * 1,-3,1,-2,1,-4,1,-3,1,2,1,4,1,3,1,-2,1,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=10,12)/
     * 1,-2,1,-3,1,4,
     * 1,-2,5,3,6,-4,1,2,5,-3,6,-4,1,3,1,2,1,-4,1,-3,1,-2,1,-4,
     * 1,-3,5,2,6,4,1,3,5,-2,6,4,1,-2,1,-3,1,4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,3,1,2,1,4,1,-3,1,-2,1,4,1,-3,1,2,1,4,
     * 1,3,1,-2,1,4,1,-2,1,-3,1,4,5,2,5,-3,1,4,5,-2,5,3,1,4,
     * 1,-3,1,2,1,4,1,3,1,-2,1,4,5,3,5,2,1,4,5,-3,5,-2,1,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=13,15)/
     * 1,-2,1,-3,1,4,1,2,1,-3,5,4,1,-2,1,3,5,4,1,3,1,2,1,4,
     * 1,-3,1,-2,1,4,1,3,1,-2,5,4,1,-3,1,2,5,4,1,-2,1,-3,1,4,
     * 5,2,5,-3,5,4,5,-2,5,3,5,4,1,3,1,2,1,4,1,-3,1,-2,1,4,
     * 5,3,5,-2,5,4,5,-3,5,2,5,4,1,-2,1,-3,1,4,1,-2,1,3,5,4,
     * 1,2,1,-3,5,4,1,-3,1,2,1,4,1,3,1,-2,1,4,1,3,1,2,5,4,
     * 1,-3,1,-2,5,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=16,18)/
     * 1,-2,1,-3,1,4,5,2,5,-3,5,4,5,-2,5,3,5,4,
     * 1,-3,1,2,1,4,1,3,1,-2,1,4,5,3,5,2,5,4,5,-3,5,-2,5,4,
     * 1,-2,1,-3,1,4,1,-2,1,3,5,4,1,3,1,-2,5,4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,3,1,2,5,4,1,-3,1,-2,5,4,5,2,5,-3,1,4,
     * 1,-3,1,2,5,4,5,3,5,2,5,4,1,-2,1,-3,1,4,5,-2,5,3,1,4,
     * 1,3,1,-2,5,4,5,-3,5,-2,5,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=19,21)/
     * 1,-2,1,-3,1,4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,3,1,2,1,4,1,-3,1,-2,1,4,1,3,1,-2,1,4,
     * 1,-3,1,2,1,4,1,-2,1,-3,1,4,5,-2,5,3,1,4,5,2,5,-3,1,4,
     * 1,-3,1,2,1,4,1,3,1,-2,1,4,5,3,5,2,1,4,5,-3,5,-2,1,4,
     * 1,-2,1,-3,1,4,1,3,5,2,6,4,1,-3,5,-2,6,4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,-3,5,2,6,4,1,3,5,-2,6,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=22,24)/
     * 1,-2,1,3,5,4,
     * 1,3,5,-2,6,4,1,3,5,2,7,4,1,-2,1,-3,1,4,1,2,1,-3,5,4,
     * 1,-3,5,2,6,4,1,-3,5,-2,7,4,1,-2,1,-3,1,4,1,-2,1,3,1,-4,
     * 1,2,1,-3,1,-4,1,-3,1,2,1,-4,1,3,1,-2,1,-4,1,3,1,2,1,4,
     * 1,-3,1,-2,1,4,1,-2,1,-3,1,4,1,-2,1,3,5,-4,1,2,1,-3,5,-4,
     * 1,-3,1,2,1,-4,1,3,1,-2,1,-4,1,3,1,2,5,4,1,-3,1,-2,5,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=25,27)/
     * 5,-2,5,3,1,-4,1,-2,1,-3,1,4,5,2,5,-3,1,-4,1,-3,1,2,1,-4,
     * 5,3,5,2,1,4,1,3,1,-2,1,-4,5,-3,5,-2,1,4,5,-2,5,3,5,-4,
     * 1,-2,1,-3,1,4,5,2,5,-3,5,-4,1,-3,1,2,1,-4,5,3,5,2,5,4,
     * 1,3,1,-2,1,-4,5,-3,5,-2,5,4,1,-2,1,-3,1,4,1,-2,1, 3,1,4,
     * 1,2,1,-3,1,4,1,-3,1,2,1,-4,1,3,1,-2,1,-4,1,3,1,2,1,-4,
     * 1,-3,1,-2,1,-4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=28,30)/
     * 1,-2,1,-3,1,4,1,-2,1,3,5,4,1,2,1,-3,5,4,
     * 1,-3,1,2,1,-4,1,3,1,-2,1,-4,1,3,1,2,5,-4,1,-3,1,-2,5,-4,
     * 5,-2,5,3,1,4,1,-2,1,-3,1,4,5,2,5,-3,1,4,1,-3,1,2,1,-4,
     * 5,3,5,2,1,-4,1,3,1,-2,1,-4,5,-3,5,-2,1,-4,5,-2,5,3,5,4,
     * 1,-2,1,-3,1,4,5,2,5,-3,5,4,1,-3,1,2,1,-4,5,3,5,2,5,-4,
     * 1,3,1,-2,1,-4,5,-3,5,-2,5,-4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=31,33)/
     * 1,-2,1,-3,1,4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,-3,1,2,1,-4,1,3,1,-2,1,-4,1,3,1,2,1,-4,
     * 1,-3,1,-2,1,-4,1,-2,1,-3,1,4,1,-2,1,3,5,4,1,2,1,-3,5,4,
     * 1,-3,1,2,1,-4,1,3,1,-2,1,-4,1,3,1,2,5,-4,1,-3,1,-2,5,-4,
     * 1,-2,1,-3,1,4,1,-2,1,3,1,-4,1,2,1,-3,1,-4,1,-3,1,2,1,-4,
     * 1,3,1,-2,1,-4,1,3,1,2,1,4,1,-3,1,-2,1,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=34,36)/
     * 1,-2,5,3,6,-4,
     * 1,-2,1,-3,1,4,1,2,5,-3,6,-4,1,-3,1,2,1,-4,1,3,5,2,6,4,
     * 1,3,1,-2,1,-4,1,-3,5,-2,6,4,1,2,1,3,1,-4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,3,1,2,1,4,1,-3,1,2,1,4,1,3,1,-2,1,4,
     * 1,3,1,2,1,-4,1,2,1,3,1,-4,1,-3,1,2,1,4,1,3,1,-2,1,4,
     * 1,-2,1,3,5,4,1,2,1,-3,5,4,1,3,1,2,5,4,1,3,1,2,5,-4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=37,39)/
     * 1,-2,5,3,1,4,5,2,1,-3,1,4,5,2,5,3,1,-4,1,3,1,2,1,-4,
     * 1,3,5,-2,1,4,5,-3,1,2,1,4,5,3,5,2,1,4,1,-2,5,3,5,4,
     * 5,2,1,-3,5,4,5,2,5,3,1,-4,1,3,1,2,5,-4,1,3,5,-2,1,4,
     * 5,-3,1,2,1,4,5,3,5,2,5,4,1,2,1,3,1,-4,5,2,5,-3,1,4,
     * 5,-2,5,3,1,4,1,-3,1,2,1,4,1,3,1,-2,1,4,5,3,5,2,1,4,
     * 5,-3,5,-2,1,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=40,42)/
     * 1,2,1,3,1,-4,5,2,5,-3,5,4,5,-2,5,3,5,4,
     * 1,-3,1,2,1,4,1,3,1,-2,1,4,5,3,5,2,5,4,5,-3,5,-2,5,4,
     * 5,-2,1,3,1,4,1,2,5,-3,1,4,5,-2,5,-3,1,4,1,3,1,2,1,4,
     * 5,-3,1,2,1,4,1,3,5,-2,1,4,5,-3,5,-2,1,4,5,-2,1,3,5,4,
     * 1,2,5,-3,5,4,5,-2,5,-3,1,4,1,3,1,2,5,4,5,-3,1,2,1,4,
     * 1,3,5,-2,1,4,5,-3,5,-2,5,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=43,45)/
     * 1,2,1,3,1,-4,1,2,1,-3,1,4,
     * 1,-2,1,3,1,4,1,3,1,2,5,-4,1,3,1,2,5,4,1,3,1,-2,5,-4,
     * 1,3,1,-2,5,4,1,2,1,3,1,-4,1,3,1,2,1,4,1,3,1,2,1,-4,
     * 1,-2,1,3,5,4,1,2,1,-3,5,4,1,3,1,-2,5,4,1,3,1,-2,5,-4,
     * 1,-2,5,3,1,4,5,2,1,-3,1,4,5,-2,5,-3,1,4,5,3,5,2,5,4,
     * 5,-3,1,2,5,4,1,3,5,-2,5,4,1,3,1,2,5,-4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=46,48)/
     * 1,2,5,-3,5,-4,
     * 5,-2,1,3,5,-4,5,2,5,3,1,-4,5,3,5,2,1,4,5,-3,1,2,5,4,
     * 1,3,5,-2,5,4,1,3,1,2,1,-4,1,2,1,3,1,-4,1,-3,1,2,5,4,
     * 5,2,5,-3,1,4,5,3,5,2,5,4,1,3,1,-2,5,4,5,-2,5,3,1,4,
     * 5,-3,5,-2,5,4,1,2,1,3,1,-4,1,3,1,2,1,4,5,2,5,-3,5,4,
     * 5,-2,5,3,5,4,1,3,1,2,1,-4,5,3,5,-2,5,4,5,-3,5,2,5,4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=49,51)/
     * 5,-2,1,3,1,4,1,2,5,-3,1,4,5,-2,5,-3,1,4,1,3,1,2,5,4,
     * 5,-3,1,2,5,4,1,3,5,-2,5,4,5,-3,5,-2,5,4,5,-2,1,3,5,4,
     * 1,2,5,-3,5,4,5,-2,5,-3,1,4,1,3,1,2,1,4,5,3,1,-2,5,-4,
     * 1,-3,5,2,5,-4,5,3,5,2,1,-4,1,2,1,3,1,-4,1,-2,1,3,1,4,
     * 1,2,1,-3,1,4,1,3,1,2,1,4,1,-3,1,2,1,4,1,3,1,-2,1,4,
     * 1,3,1,2,1,-4/
      DATA (((ICO5(I,J,K),K=1,6),J=1,7),I=52,54)/
     * 1,2,1,3,1,-4,1,3,1,-2,1,4,1,3,1,-2,1,-4,
     * 1,2,1,-3,5,4,1,2,1,-3,5,-4,1,3,1,2,5,4,1,3,1,2,5,-4,
     * 1,-2,1,3,1,4,1,2,5,-3,1,4,6,3,6,2,7,4,6,3,6,-2,7,4,
     * 1,-2,5,-3,1,4,7,-3,6,2,7,4,7,-3,6,-2,7,4,1,-2,1,3,5,4,
     * 6,3,6,2,6,4,7,-3,6,2,7,4,1,2,5,-3,5,4,1,-2,5,-3,1,4,
     * 6,3,6,-2,7,4,7,-3,6,-2,6,4/
      END
 
      BLOCK DATA BLOCK4
C-----Equivalent positions for the H.M. space group symbols
      CHARACTER*7 SPG6(6),SPG7(28),SPG8(18)
      INTEGER*2 NP6(6),ICO6(6,2,6),NP7(28),ICO7(28,5,6),NP8(18),
     1 ICO8(18,11,6)
      COMMON/GSP4/SPG6,SPG7,SPG8
     1      /GRP6/NP6,ICO6
     2      /GRP7/NP7,ICO7
     2      /GRP8/NP8,ICO8
      DATA NP6/2,2,2,2,-2,-2/
      DATA SPG6/ 'P3     ','P31    ','P32    ','R3     ','P-3    ',
     1 'R-3    '/
      DATA (((ICO6(I,J,K),K=1,6),J=1,2),I=1,6)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,-3,2,-3,8,4,3,-2,1,-2,9,4,
     * 1,-3,2,-3,9,4,3,-2,1,-2,8,4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,-3,2,-3,1,4,3,-2,1,-2,1,4/
      DATA NP7/5,5,5,5,5,5,5,5,5,5,5,5,5,-5,-5,-5,-5,-5,-5,5,5,5,5,5,
     a 5,5,-5,-5/
      DATA SPG7/ 'P312   ','P321   ','P3112  ','P3121  ','P3212  ',
     1 'P3221  ','R32    ','P3m1   ','P31m   ','P3c1   ','P31c   ',
     2 'R3m    ','R3c    ','P-31m  ','P-31c  ','P-3m1  ','P-3c1  ',
     3 'R-3m   ','R-3c   ','P6     ','P61    ','P65    ','P62    ',
     4 'P64    ','P63    ','P-6    ','P6/m   ','P63/m  '/
      DATA (((ICO7(I,J,K),K=1,6),J=1,5),I=1,4)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,-3,1,-2,1,-4,1,2,2,-3,1,-4,
     * 3,-2,1,3,1,-4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,3,1,2,1,-4,
     * 1,-2,3,-2,1,-4,2,-3,1,-3,1,-4,1,-3,2,-3,8,4,3,-2,1,-2,9,4,
     * 1,2,2,-3,1,-4,3,-2,1,3,8,-4,1,-3,1,-2,9,-4,1,-3,2,-3,8,4,
     * 3,-2,1,-2,9,4,1,3,1,2,1,-4,1,-2,3,-2,8,-4,2,-3,1,-3,9,-4/
      DATA (((ICO7(I,J,K),K=1,6),J=1,5),I=5,8)/
     * 1,-3,2,-3,9,4,3,-2,1,-2,8,4,1,2,2,-3,1,-4,3,-2,1,3,9,-4,
     * 1,-3,1,-2,8,-4,1,-3,2,-3,9,4,3,-2,1,-2,8,4,1,3,1,2,1,-4,
     * 1,-2,3,-2,9,-4,2,-3,1,-3,8,-4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,
     * 1,3,1,2,1,-4,1,-2,3,-2,1,-4,2,-3,1,-3,1,-4,1,-3,2,-3,1,4,
     * 3,-2,1,-2,1,4,1,-3,1,-2,1,4,1,2,2,-3,1,4,3,-2,1,3,1,4/
      DATA (((ICO7(I,J,K),K=1,6),J=1,5),I=9,12)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,3,1,2,1,4,1,-2,3,-2,1,4,
     * 2,-3,1,-3,1,4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,-3,1,-2,5,4,
     * 1,2,2,-3,5,4,3,-2,1,3,5,4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,
     * 1,3,1,2,5,4,1,-2,3,-2,5,4,2,-3,1,-3,5,4,1,-3,2,-3,1,4,
     * 3,-2,1,-2,1,4,1,-3,1,-2,1,4,1,2,2,-3,1,4,3,-2,1,3,1,4/
      DATA (((ICO7(I,J,K),K=1,6),J=1,5),I=13,16)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,-3,1,-2,5,4,1,2,2,-3,5,4,
     * 3,-2,1,3,5,4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,3,1,2,1,4,
     * 1,2,2,-3,1,-4,3,-2,1,3,1,-4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,
     * 1,3,1,2,5,4,1,2,2,-3,5,-4,3,-2,1,3,5,-4,1,-3,2,-3,1,4,
     * 3,-2,1,-2,1,4,1,3,1,2,1,-4,1,2,2,-3,1,4,3,-2,1,3,1,4/
      DATA (((ICO7(I,J,K),K=1,6),J=1,5),I=17,20)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,3,1,2,5,-4,1,2,2,-3,5,4,
     * 3,-2,1,3,5,4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,3,1,2,1,-4,
     * 1,2,2,-3,1,4,3,-2,1,3,1,4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,
     * 1,3,1,2,5,-4,1,2,2,-3,5,4,3,-2,1,3,5,4,1,-3,2,-3,1,4,
     * 3,-2,1,-2,1,4,1,-2,1,-3,1,4,1,3,3,-2,1,4,2,-3,1,2,1,4/
      DATA (((ICO7(I,J,K),K=1,6),J=1,5),I=21,24)/
     * 1,-3,2,-3,8,4,3,-2,1,-2,9,4,1,-2,1,-3,5,4,1,3,3,-2,11,4,
     * 2,-3,1,2,10,4,1,-3,2,-3,9,4,3,-2,1,-2,8,4,1,-2,1,-3,5,4,
     * 1,3,3,-2,10,4,2,-3,1,2,11,4,1,-3,2,-3,9,4,3,-2,1,-2,8,4,
     * 1,-2,1,-3,1,4,1,3,3,-2,9,4,2,-3,1,2,8,4,1,-3,2,-3,8,4,
     * 3,-2,1,-2,9,4,1,-2,1,-3,1,4,1,3,3,-2,8,4,2,-3,1,2,9,4/
      DATA (((ICO7(I,J,K),K=1,6),J=1,5),I=25,28)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,-2,1,-3,5,4,1,3,3,-2,5,4,
     * 2,-3,1,2,5,4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,2,1,3,1,-4,
     * 1,-3,2,-3,1,-4,2,-3,1,-2,1,-4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,
     * 1,-2,1,-3,1,4,1,3,3,-2,1,4,2,-3,1,2,1,4,1,-3,2,-3,1,4,
     * 3,-2,1,-2,1,4,1,-2,1,-3,5,4,1,3,3,-2,5,4,2,-3,1,2,5,4/
      DATA NP8/11,11,11,11,11,11,11,11,11,11,11,11,11,11,-11,-11,-11,
     a -11/
      DATA SPG8/ 'P622   ','P6122  ','P6522  ','P6222  ','P6422  ',
     1 'P6322  ','P6mm   ','P6cc   ','P63cm  ','P63mc  ','P6m2   ',
     2 'P-6c2  ','P-62m  ','P-62c  ','P6/mmm ','P6/mcc ','P63/mcm',
     3 'P63/mmc'/
      DATA (((ICO8(I,J,K),K=1,6),J=1,11),I=1,2)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,-2,1,-3,1,4,1,3,3,-2,1,4,
     * 2,-3,1,2,1,4,1,3,1,2,1,-4,1,-2,3,-2,1,-4,2,-3,1,-3,1,-4,
     * 1,-3,1,-2,1,-4,1,2,2,-3,1,-4,3,-2,1,3,1,-4,1,-3,2,-3,8,4,
     * 3,-2,1,-2,9,4,1,-2,1,-3,5,4,1,3,3,-2,11,4,2,-3,1,2,10,4,
     * 1,3,1,2,8,-4,1,-2,3,-2,9,-4,2,-3,1,-3,1,-4,1,-3,1,-2,11,-4,
     * 1,2,2,-3,10,-4,3,-2,1,3,5,-4/
      DATA (((ICO8(I,J,K),K=1,6),J=1,11),I=3,4)/
     * 1,-3,2,-3,9,4,3,-2,1,-2,8,4,
     * 1,-2,1,-3,5,4,1,3,3,-2,10,4,2,-3,1,2,11,4,1,3,1,2,9,-4,
     * 1,-2,3,-2,8,-4,2,-3,1,-3,1,-4,1,-3,1,-2,10,-4,1,2,2,-3,11,-4,
     * 3,-2,1,3,5,-4,1,-3,2,-3,9,4,3,-2,1,-2,8,4,1,-2,1,-3,1,4,
     * 1,3,3,-2,9,4,2,-3,1,2,8,4,1,3,1,2,9,-4,1,-2,3,-2,8,-4,
     * 2,-3,1,-3,1,-4,1,-3,1,-2,9,-4,1,2,2,-3,8,-4,3,-2,1,3,1,-4/
      DATA (((ICO8(I,J,K),K=1,6),J=1,11),I=5,6)/
     * 1,-3,2,-3,8,4,3,-2,1,-2,9,4,1,-2,1,-3,1,4,1,3,3,-2,8,4,
     * 2,-3,1,2,9,4,1,3,1,2,8,-4,1,-2,3,-2,9,-4,2,-3,1,-3,1,-4,
     * 1,-3,1,-2,8,-4,1,2,2,-3,9,-4,3,-2,1,3,1,-4,1,-3,2,-3,1,4,
     * 3,-2,1,-2,1,4,1,3,1,2,1,-4,1,-2,3,-2,1,-4,2,-3,1,-3,1,-4,
     * 1,-2,1,-3,5,4,1,3,3,-2,5,4,2,-3,1,2,5,4,1,-3,1,-2,5,-4,
     * 1,2,2,-3,5,-4,3,-2,1,3,5,-4/
      DATA (((ICO8(I,J,K),K=1,6),J=1,11),I=7,8)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,
     * 1,-2,1,-3,1,4,1,3,3,-2,1,4,2,-3,1,2,1,4,1,3,1,2,1,4,
     * 1,-2,3,-2,1,4,2,-3,1,-3,1,4,1,-3,1,-2,1,4,1,2,2,-3,1,4,
     * 3,-2,1,3,1,4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,-2,1,-3,1,4,
     * 1,3,3,-2,1,4,2,-3,1,2,1,4,1,3,1,2,5,4,1,-2,3,-2,5,4,
     * 2,-3,1,-3,5,4,1,-3,1,-2,5,4,1,2,2,-3,5,4,3,-2,1,3,5,4/
      DATA (((ICO8(I,J,K),K=1,6),J=1,11),I=9,10)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,3,1,2,1,4,1,-2,3,-2,1,4,
     * 2,-3,1,-3,1,4,1,-2,1,-3,5,4,1,3,3,-2,5,4,2,-3,1,2,5,4,
     * 1,-3,1,-2,5,4,1,2,2,-3,5,4,3,-2,1,3,5,4,1,-3,2,-3,1,4,
     * 3,-2,1,-2,1,4,1,-3,1,-2,1,4,1,2,2,-3,1,4,3,-2,1,3,1,4,
     * 1,-2,1,-3,5,4,1,3,3,-2,5,4,2,-3,1,2,5,4,1,3,1,2,5,4,
     * 1,-2,3,-2,5,4,2,-3,1,-3,5,4/
      DATA (((ICO8(I,J,K),K=1,6),J=1,11),I=11,12)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,
     * 1,3,1,2,1,-4,1,-3,2,-3,1,-4,3,-2,1,-2,1,-4,1,-3,1,-2,1,4,
     * 1,2,2,-3,1,4,3,-2,1,3,1,4,1,-3,1,-2,1,-4,1,2,2,-3,1,-4,
     * 3,-2,1,3,1,-4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,2,1,3,5,-4,
     * 1,-3,3,-2,5,-4,3,-2,1,-2,5,-4,1,-3,1,-2,5,4,1,2,2,-3,5,4,
     * 3,-2,1,3,5,4,1,-3,1,-2,1,-4,1,2,2,-3,1,-4,3,-2,1,3,1,-4/
      DATA (((ICO8(I,J,K),K=1,6),J=1,11),I=13,14)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,2,1,3,1,-4,1,-3,2,-3,1,-4,
     * 3,-2,1,-2,1,-4,1,3,1,2,1,4,1,-2,3,-2,1,4,3,-2,1,-3,1,4,
     * 1,3,1,2,1,-4,1,-2,3,-2,1,-4,3,-2,1,-3,1,-4,1,-3,2,-3,1,4,
     * 3,-2,1,-2,1,4,1,2,1,3,5,-4,1,-3,2,-3,5,-4,3,-2,1,-2,5,-4,
     * 1,3,1,2,5,4,1,-2,3,-2,5,4,2,-3,1,-3,5,4,1,3,1,2,1,-4,
     * 1,-2,3,-2,1,-4,2,-3,1,-3,1,-4/
      DATA (((ICO8(I,J,K),K=1,6),J=1,11),I=15,16)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,
     * 1,3,1,2,1,4,1,-2,3,-2,1,4,2,-3,1,-3,1,4,1,2,1,3,1,-4,
     * 1,-3,2,-3,1,-4,3,-2,1,-2,1,-4,1,3,1,2,1,-4,1,-2,3,-2,1,-4,
     * 2,-3,1,-3,1,-4,1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,2,1,3,1,-4,
     * 1,-3,2,-3,1,-4,3,-2,1,-2,1,-4,1,3,1,2,5,4,1,-2,3,-2,5,4,
     * 2,-3,1,-3,5,4,1,-3,1,-2,5,4,1,2,2,-3,5,4,3,-2,1,3,5,4/
      DATA (((ICO8(I,J,K),K=1,6),J=1,11),I=17,18)/
     * 1,-3,2,-3,1,4,3,-2,1,-2,1,4,1,3,1,2,1,4,1,-2,3,-2,1,4,
     * 2,-3,1,-3,1,4,1,2,1,3,5,-4,1,-3,2,-3,5,-4,3,-2,1,-2,5,-4,
     * 1,3,1,2,5,-4,1,-2,3,-2,5,-4,2,-3,1,-3,5,-4,1,-3,2,-3,1,4,
     * 3,-2,1,-2,1,4,1,3,1,2,1,-4,1,-2,3,-2,1,-4,2,-3,1,-3,1,-4,
     * 1,2,1,3,5,-4,1,-3,2,-3,5,-4,3,-2,1,-2,5,-4,1,-3,1,-2,5,-4,
     * 1,2,2,-3,5,-4,3,-2,1,3,5,-4/
      END
 
      BLOCK DATA BLOCK5
C-----Equivalent positions for the H.M. space group symbols
      CHARACTER*7 SPG9(5),SPG10(7)
      INTEGER*2 NP9(5),ICO9(5,11,6),NP10(7),ICO10(7,11,6)
      COMMON/GSP5/SPG9,SPG10
     1      /GRP9/NP9,ICO9
     2      /GRP10/NP10,ICO10
      DATA NP9/11,11,11,11,11/
      DATA SPG9/ 'P23    ','F23    ','I23    ','P213   ','I213   '/
      DATA (((ICO9(I,J,K),K=1,6),J=1,11),I=1,2)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,
     * 1,3,1,-4,1,-2,1,-2,1,3,1,-4,1,-4,1,2,1,-3,1,-3,1,4,1,-2,
     * 1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,1,4,1,2,1,3,
     * 1,3,1,4,1,2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,
     * 1,-2,1,3,1,-4,1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,-2,1,-3,1,4,
     * 1,-4,1,-2,1,3,1,-3,1,-4,1,2/
      DATA (((ICO9(I,J,K),K=1,6),J=1,11),I=3,3)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,
     * 1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,1,-2,1,3,1,-4,
     * 1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,-2,1,-3,1,4,1,-4,1,-2,1,3,
     * 1,-3,1,-4,1,2/
      DATA (((ICO9(I,J,K),K=1,6),J=1,11),I=4,5)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,5,2,5,-3,1,-4,
     * 5,4,5,-2,1,-3,5,3,5,-4,1,-2,1,-2,5,3,5,-4,1,-4,5,2,5,-3,
     * 1,-3,5,4,5,-2,5,-2,1,-3,5,4,5,-4,1,-2,5,3,5,-3,1,-4,5,2,
     * 1,4,1,2,1,3,1,3,1,4,1,2,5,2,5,-3,1,-4,5,4,5,-2,1,-3,
     * 5,3,5,-4,1,-2,1,-2,5,3,5,-4,1,-4,5,2,5,-3,1,-3,5,4,5,-2,
     * 5,-2,1,-3,5,4,5,-4,1,-2,5,3,5,-3,1,-4,5,2/
      DATA NP10/-11,-11,-11,-11,-11,-11,-11/
      DATA SPG10/ 'Pm3    ','Pn3    ','Fm3    ','Fd3    ','Im3    ',
     1  'Pa3    ','Ia3    '/
      DATA (((ICO10(I,J,K),K=1,6),J=1,11),I=1,2)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,
     * 1,3,1,-4,1,-2,1,-2,1,3,1,-4,1,-4,1,2,1,-3,1,-3,1,4,1,-2,
     * 1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,1,4,1,2,1,3,
     * 1,3,1,4,1,2,1,2,5,-3,5,-4,5,-2,1,3,5,-4,5,-2,5,-3,1,4,
     * 1,4,5,-2,5,-3,5,-4,1,2,5,-3,5,-4,5,-2,1,3,1,3,5,-4,5,-2,
     * 5,-3,1,4,5,-2,5,-3,5,-4,1,2/
      DATA (((ICO10(I,J,K),K=1,6),J=1,11),I=3,4)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,
     * 1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,1,-2,1,3,1,-4,
     * 1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,-2,1,-3,1,4,1,-4,1,-2,1,3,
     * 1,-3,1,-4,1,2,1,4,1,2,1,3,1,3,1,4,1,2,1,2,6,-3,6,-4,
     * 6,-2,1,3,6,-4,6,-2,6,-3,1,4,1,4,6,-2,6,-3,6,-4,1,2,6,-3,
     * 6,-4,6,-2,1,3,1,3,6,-4,6,-2,6,-3,1,4,6,-2,6,-3,6,-4,1,2/
      DATA (((ICO10(I,J,K),K=1,6),J=1,11),I=5,6)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,
     * 1,3,1,-4,1,-2,1,-2,1,3,1,-4,1,-4,1,2,1,-3,1,-3,1,4,1,-2,
     * 1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,1,4,1,2,1,3,
     * 1,3,1,4,1,2,5,2,5,-3,1,-4,1,-2,5,3,5,-4,5,-2,1,-3,5,4,
     * 5,4,5,-2,1,-3,1,-4,5,2,5,-3,5,-4,1,-2,5,3,5,3,5,-4,1,-2,
     * 1,-3,5,4,5,-2,5,-3,1,-4,5,2/
      DATA (((ICO10(I,J,K),K=1,6),J=1,11),I=7,7)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,
     * 1,2,1,-3,5,-4,5,-2,1,3,1,-4,1,-2,5,-3,1,4,1,4,1,-2,5,-3,
     * 5,-4,1,2,1,-3,1,-4,5,-2,1,3,1,3,1,-4,5,-2,5,-3,1,4,1,-2,
     * 1,-3,5,-4,1,2/
      END
 
      BLOCK DATA BLOCK6
C-----Equivalent positions for the H.M. space group symbols
      CHARACTER*7 SPG11(14)
      INTEGER*2 NP11(14),ICO11(14,23,6)
      COMMON/GSP6/SPG11
     1      /GRP11/NP11,ICO11
      DATA NP11/23,23,23,23,23,23,23,23,23,23,23,23,23,23/
      DATA SPG11/ 'P432   ','P4232  ','F432   ','F4132  ','I432   ',
     1  'P4332  ','P4132  ','I4132  ','P-43m  ','F-43m  ','I-43m  ',
     2  'P-43n  ','F-43c  ','I-43d  '/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=1,1)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,-2,1,-4,1,-3,1,-3,1,-2,1,-4,
     * 1,-4,1,-3,1,-2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,
     * 1,-2,1,4,1,3,1,-3,1,2,1,4,1,-4,1,3,1,2,1,-2,1,3,1,-4,
     * 1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,2,1,-4,1,3,1,3,1,-2,1,4,
     * 1,4,1,-3,1,2,1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,
     * 1,2,1,4,1,-3,1,3,1,2,1,-4,1,4,1,3,1,-2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=2,2)/
     * 1,-2,1,3,1,-4,
     * 5,-2,5,-4,5,-3,5,2,5,-4,5,3,1,4,1,2,1,3,1,-4,1,2,1,-3,
     * 5,-3,5,-2,5,-4,5,3,5,-2,5,4,1,3,1,4,1,2,1,-3,1,4,1,-2,
     * 5,-4,5,-3,5,-2,5,4,5,-3,5,2,1,2,1,-3,1,-4,1,-2,1,-3,1,4,
     * 5,-2,5,4,5,3,5,2,5,4,5,-3,1,4,1,-2,1,-3,1,-4,1,-2,1,3,
     * 5,-3,5,2,5,4,5,3,5,2,5,-4,1,3,1,-4,1,-2,1,-3,1,-4,1,2,
     * 5,-4,5,3,5,2,5,4,5,3,5,-2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=3,3)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,
     * 1,-2,1,-4,1,-3,1,-3,1,-2,1,-4,1,-4,1,-3,1,-2,1,2,1,-3,1,-4,
     * 1,4,1,-2,1,-3,1,3,1,-4,1,-2,1,-2,1,4,1,3,1,-3,1,2,1,4,
     * 1,-4,1,3,1,2,1,-2,1,3,1,-4,1,-4,1,2,1,-3,1,-3,1,4,1,-2,
     * 1,2,1,-4,1,3,1,3,1,-2,1,4,1,4,1,-3,1,2,1,-2,1,-3,1,4,
     * 1,-4,1,-2,1,3,1,-3,1,-4,1,2,1,2,1,4,1,-3,1,3,1,2,1,-4,
     * 1,4,1,3,1,-2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=4,4)/
     * 1,-2,1,3,1,-4,6,-2,6,-4,6,-3,6,2,6,-4,6,3,
     * 1,4,1,2,1,3,1,-4,1,2,1,-3,6,-3,6,-2,6,-4,6,3,6,-2,6,4,
     * 1,3,1,4,1,2,1,-3,1,4,1,-2,6,-4,6,-3,6,-2,6,4,6,-3,6,2,
     * 1,2,1,-3,1,-4,1,-2,1,-3,1,4,6,-2,6,4,6,3,6,2,6,4,6,-3,
     * 1,4,1,-2,1,-3,1,-4,1,-2,1,3,6,-3,6,2,6,4,6,3,6,2,6,-4,
     * 1,3,1,-4,1,-2,1,-3,1,-4,1,2,6,-4,6,3,6,2,6,4,6,3,6,-2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=5,5)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,-2,1,-4,1,-3,1,-3,1,-2,1,-4,
     * 1,-4,1,-3,1,-2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,
     * 1,-2,1,4,1,3,1,-3,1,2,1,4,1,-4,1,3,1,2,1,-2,1,3,1,-4,
     * 1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,2,1,-4,1,3,1,3,1,-2,1,4,
     * 1,4,1,-3,1,2,1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,
     * 1,2,1,4,1,-3,1,3,1,2,1,-4,1,4,1,3,1,-2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=6,6)/
     * 5,2,5,-3,1,-4,
     * 1,-2,5,3,5,-4,5,-2,1,-3,5,4,1,4,1,2,1,3,5,4,5,-2,1,-3,
     * 1,-4,5,2,5,-3,5,-4,1,-2,5,3,1,3,1,4,1,2,5,3,5,-4,1,-2,
     * 1,-3,5,4,5,-2,5,-3,1,-4,5,2,6,-2,6,-4,6,-3,7,2,7,-4,6,3,
     * 6,-3,6,-2,6,-4,7,3,7,-2,6,4,6,-4,6,-3,6,-2,7,4,7,-3,6,2,
     * 7,-2,6,4,7,3,6,2,7,4,7,-3,7,-3,6,2,7,4,6,3,7,2,7,-4,
     * 7,-4,6,3,7,2,6,4,7,3,7,-2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=7,7)/
     * 5,2,5,-3,1,-4,1,-2,5,3,5,-4,
     * 5,-2,1,-3,5,4,1,4,1,2,1,3,5,4,5,-2,1,-3,1,-4,5,2,5,-3,
     * 5,-4,1,-2,5,3,1,3,1,4,1,2,5,3,5,-4,1,-2,1,-3,5,4,5,-2,
     * 5,-3,1,-4,5,2,7,-2,7,-4,7,-3,6,2,6,-4,7,3,7,-3,7,-2,7,-4,
     * 6,3,6,-2,7,4,7,-4,7,-3,7,-2,6,4,6,-3,7,2,6,-2,7,4,6,3,
     * 7,2,6,4,6,-3,6,-3,7,2,6,4,7,3,6,2,6,-4,6,-4,7,3,6,2,
     * 7,4,6,3,6,-2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=8,8)/
     * 5,2,5,-3,1,-4,1,-2,5,3,5,-4,5,-2,1,-3,5,4,
     * 1,4,1,2,1,3,5,4,5,-2,1,-3,1,-4,5,2,5,-3,5,-4,1,-2,5,3,
     * 1,3,1,4,1,2,5,3,5,-4,1,-2,1,-3,5,4,5,-2,5,-3,1,-4,5,2,
     * 6,-2,6,-4,6,-3,7,2,7,-4,6,3,6,-3,6,-2,6,-4,7,3,7,-2,6,4,
     * 6,-4,6,-3,6,-2,7,4,7,-3,6,2,7,-2,6,4,7,3,6,2,7,4,7,-3,
     * 7,-3,6,2,7,4,6,3,7,2,7,-4,7,-4,6,3,7,2,6,4,7,3,7,-2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=9,9)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,2,1,4,1,3,1,3,1,2,1,4,
     * 1,4,1,3,1,2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,
     * 1,2,1,-4,1,-3,1,3,1,-2,1,-4,1,4,1,-3,1,-2,1,-2,1,3,1,-4,
     * 1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,-2,1,4,1,-3,1,-3,1,2,1,-4,
     * 1,-4,1,3,1,-2,1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,
     * 1,-2,1,-4,1,3,1,-3,1,-2,1,4,1,-4,1,-3,1,2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=10,10)/
     * 1,4,1,2,1,3,
     * 1,3,1,4,1,2,1,2,1,4,1,3,1,3,1,2,1,4,1,4,1,3,1,2,
     * 1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,1,2,1,-4,1,-3,
     * 1,3,1,-2,1,-4,1,4,1,-3,1,-2,1,-2,1,3,1,-4,1,-4,1,2,1,-3,
     * 1,-3,1,4,1,-2,1,-2,1,4,1,-3,1,-3,1,2,1,-4,1,-4,1,3,1,-2,
     * 1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,1,-2,1,-4,1,3,
     * 1,-3,1,-2,1,4,1,-4,1,-3,1,2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=11,11)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,
     * 1,2,1,4,1,3,1,3,1,2,1,4,1,4,1,3,1,2,1,2,1,-3,1,-4,
     * 1,4,1,-2,1,-3,1,3,1,-4,1,-2,1,2,1,-4,1,-3,1,3,1,-2,1,-4,
     * 1,4,1,-3,1,-2,1,-2,1,3,1,-4,1,-4,1,2,1,-3,1,-3,1,4,1,-2,
     * 1,-2,1,4,1,-3,1,-3,1,2,1,-4,1,-4,1,3,1,-2,1,-2,1,-3,1,4,
     * 1,-4,1,-2,1,3,1,-3,1,-4,1,2,1,-2,1,-4,1,3,1,-3,1,-2,1,4,
     * 1,-4,1,-3,1,2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=12,12)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,-2,1,3,1,-4,
     * 1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,
     * 1,3,1,-4,1,-2,1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,
     * 5,2,5,4,5,3,5,3,5,2,5,4,5,4,5,3,5,2,5,2,5,-4,5,-3,
     * 5,3,5,-2,5,-4,5,4,5,-3,5,-2,5,-2,5,4,5,-3,5,-3,5,2,5,-4,
     * 5,-4,5,3,5,-2,5,-2,5,-4,5,3,5,-3,5,-2,5,4,5,-4,5,-3,5,2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=13,13)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,-2,1,3,1,-4,1,-4,1,2,1,-3,
     * 1,-3,1,4,1,-2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,
     * 1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,1,2,1,4,5,3,
     * 1,3,1,2,5,4,1,4,1,3,5,2,1,2,1,-4,5,-3,1,3,1,-2,5,-4,
     * 1,4,1,-3,5,-2,1,-2,1,4,5,-3,1,-3,1,2,5,-4,1,-4,1,3,5,-2,
     * 1,-2,1,-4,5,3,1,-3,1,-2,5,4,1,-4,1,-3,5,2/
      DATA (((ICO11(I,J,K),K=1,6),J=1,23),I=14,14)/
     * 1,4,1,2,1,3,
     * 1,3,1,4,1,2,5,2,5,-3,1,-4,1,-2,5,3,5,-4,5,-2,1,-3,5,4,
     * 5,4,5,-2,1,-3,1,-4,5,2,5,-3,5,-4,1,-2,5,3,5,3,5,-4,1,-2,
     * 1,-3,5,4,5,-2,5,-3,1,-4,5,2,6,2,6,4,6,3,7,2,6,-4,7,-3,
     * 7,-2,7,4,6,-3,6,-2,7,-4,7,3,6,3,6,2,6,4,7,3,6,-2,7,-4,
     * 7,-3,7,2,6,-4,6,-3,7,-2,7,4,6,4,6,3,6,2,7,4,6,-3,7,-2,
     * 7,-4,7,3,6,-2,6,-4,7,-3,7,2/
      END
 
      BLOCK DATA BLOCK7
C-----Equivalent positions for the H.M. space group symbols
      CHARACTER*7 SPG12(10)
      INTEGER*2 NP12(10),ICO12(10,23,6)
      COMMON/GSP7/SPG12
     1      /GRP12/NP12,ICO12
      DATA NP12/-23,-23,-23,-23,-23,-23,-23,-23,-23,-23/
      DATA SPG12/ 'Pm3m   ','Pn3n   ','Pm3n   ','Pn3m   ','Fm3m   ',
     1  'Fm3c   ','Fd3m   ','Fd3c   ','Im3m   ','Ia3d   '/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=1,1)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,2,1,4,1,3,1,3,1,2,1,4,
     * 1,4,1,3,1,2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,
     * 1,2,1,-4,1,-3,1,3,1,-2,1,-4,1,4,1,-3,1,-2,1,-2,1,3,1,-4,
     * 1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,-2,1,4,1,-3,1,-3,1,2,1,-4,
     * 1,-4,1,3,1,-2,1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,
     * 1,-2,1,-4,1,3,1,-3,1,-2,1,4,1,-4,1,-3,1,2/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=2,2)/
     * 1,4,1,2,1,3,
     * 1,3,1,4,1,2,1,2,5,-3,5,-4,1,4,5,-2,5,-3,1,3,5,-4,5,-2,
     * 5,-2,1,3,5,-4,5,-4,1,2,5,-3,5,-3,1,4,5,-2,5,-2,5,-3,1,4,
     * 5,-4,5,-2,1,3,5,-3,5,-4,1,2,5,2,5,4,5,3,5,3,5,2,5,4,
     * 5,4,5,3,5,2,5,2,1,-4,1,-3,5,3,1,-2,1,-4,5,4,1,-3,1,-2,
     * 1,-2,5,4,1,-3,1,-3,5,2,1,-4,1,-4,5,3,1,-2,1,-2,1,-4,5,3,
     * 1,-3,1,-2,5,4,1,-4,1,-3,5,2/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=3,3)/
     * 1,2,1,-3,1,-4,1,-2,1,3,1,-4,
     * 1,-2,1,-3,1,4,1,4,1,2,1,3,1,4,1,-2,1,-3,1,-4,1,2,1,-3,
     * 1,-4,1,-2,1,3,1,3,1,4,1,2,1,3,1,-4,1,-2,1,-3,1,4,1,-2,
     * 1,-3,1,-4,1,2,5,2,5,4,5,3,5,2,5,-4,5,-3,5,-2,5,4,5,-3,
     * 5,-2,5,-4,5,3,5,3,5,2,5,4,5,3,5,-2,5,-4,5,-3,5,2,5,-4,
     * 5,-3,5,-2,5,4,5,4,5,3,5,2,5,4,5,-3,5,-2,5,-4,5,3,5,-2,
     * 5,-4,5,-3,5,2/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=4,4)/
     * 1,2,5,-3,5,-4,5,-2,1,3,5,-4,5,-2,5,-3,1,4,
     * 1,4,1,2,1,3,1,4,5,-2,5,-3,5,-4,1,2,5,-3,5,-4,5,-2,1,3,
     * 1,3,1,4,1,2,1,3,5,-4,5,-2,5,-3,1,4,5,-2,5,-3,5,-4,1,2,
     * 1,2,1,4,1,3,1,2,5,-4,5,-3,5,-2,1,4,5,-3,5,-2,5,-4,1,3,
     * 1,3,1,2,1,4,1,3,5,-2,5,-4,5,-3,1,2,5,-4,5,-3,5,-2,1,4,
     * 1,4,1,3,1,2,1,4,5,-3,5,-2,5,-4,1,3,5,-2,5,-4,5,-3,1,2/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=5,5)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,2,1,4,1,3,1,3,1,2,1,4,
     * 1,4,1,3,1,2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,
     * 1,2,1,-4,1,-3,1,3,1,-2,1,-4,1,4,1,-3,1,-2,1,-2,1,3,1,-4,
     * 1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,-2,1,4,1,-3,1,-3,1,2,1,-4,
     * 1,-4,1,3,1,-2,1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,
     * 1,-2,1,-4,1,3,1,-3,1,-2,1,4,1,-4,1,-3,1,2/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=6,6)/
     * 1,2,1,-3,1,-4,
     * 1,-2,1,3,1,-4,1,-2,1,-3,1,4,1,4,1,2,1,3,1,4,1,-2,1,-3,
     * 1,-4,1,2,1,-3,1,-4,1,-2,1,3,1,3,1,4,1,2,1,3,1,-4,1,-2,
     * 1,-3,1,4,1,-2,1,-3,1,-4,1,2,1,2,1,4,5,3,1,2,1,-4,5,-3,
     * 1,-2,1,4,5,-3,1,-2,1,-4,5,3,1,3,1,2,5,4,1,3,1,-2,5,-4,
     * 1,-3,1,2,5,-4,1,-3,1,-2,5,4,1,4,1,3,5,2,1,4,1,-3,5,-2,
     * 1,-4,1,3,5,-2,1,-4,1,-3,5,2/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=7,7)/
     * 1,2,6,-3,6,-4,6,-2,1,3,6,-4,
     * 6,-2,6,-3,1,4,1,4,1,2,1,3,1,4,6,-2,6,-3,6,-4,1,2,6,-3,
     * 6,-4,6,-2,1,3,1,3,1,4,1,2,1,3,6,-4,6,-2,6,-3,1,4,6,-2,
     * 6,-3,6,-4,1,2,1,2,1,4,1,3,1,2,6,-4,6,-3,6,-2,1,4,6,-3,
     * 6,-2,6,-4,1,3,1,3,1,2,1,4,1,3,6,-2,6,-4,6,-3,1,2,6,-4,
     * 6,-3,6,-2,1,4,1,4,1,3,1,2,1,4,6,-3,6,-2,6,-4,1,3,6,-2,
     * 6,-4,6,-3,1,2/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=8,8)/
     * 1,2,6,-3,6,-4,6,-2,1,3,6,-4,6,-2,6,-3,1,4,
     * 1,4,1,2,1,3,1,4,6,-2,6,-3,6,-4,1,2,6,-3,6,-4,6,-2,1,3,
     * 1,3,1,4,1,2,1,3,6,-4,6,-2,6,-3,1,4,6,-2,6,-3,6,-4,1,2,
     * 1,2,1,4,5,3,1,2,6,-4,7,-3,7,-2,1,4,6,-3,6,-2,7,-4,1,3,
     * 1,3,1,2,5,4,1,3,6,-2,7,-4,7,-3,1,2,6,-4,6,-3,7,-2,1,4,
     * 1,4,1,3,5,2,1,4,6,-3,7,-2,7,-4,1,3,6,-2,6,-4,7,-3,1,2/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=9,9)/
     * 1,4,1,2,1,3,1,3,1,4,1,2,1,2,1,4,1,3,1,3,1,2,1,4,
     * 1,4,1,3,1,2,1,2,1,-3,1,-4,1,4,1,-2,1,-3,1,3,1,-4,1,-2,
     * 1,2,1,-4,1,-3,1,3,1,-2,1,-4,1,4,1,-3,1,-2,1,-2,1,3,1,-4,
     * 1,-4,1,2,1,-3,1,-3,1,4,1,-2,1,-2,1,4,1,-3,1,-3,1,2,1,-4,
     * 1,-4,1,3,1,-2,1,-2,1,-3,1,4,1,-4,1,-2,1,3,1,-3,1,-4,1,2,
     * 1,-2,1,-4,1,3,1,-3,1,-2,1,4,1,-4,1,-3,1,2/
      DATA (((ICO12(I,J,K),K=1,6),J=1,23),I=10,10)/
     * 5,2,5,-3,1,-4,
     * 1,-2,5,3,5,-4,5,-2,1,-3,5,4,1,4,1,2,1,3,5,4,5,-2,1,-3,
     * 1,-4,5,2,5,-3,5,-4,1,-2,5,3,1,3,1,4,1,2,5,3,5,-4,1,-2,
     * 1,-3,5,4,5,-2,5,-3,1,-4,5,2,6,2,6,4,6,3,7,2,6,-4,7,-3,
     * 7,-2,7,4,6,-3,6,-2,7,-4,7,3,6,3,6,2,6,4,7,3,6,-2,7,-4,
     * 7,-3,7,2,6,-4,6,-3,7,-2,7,4,6,4,6,3,6,2,7,4,6,-3,7,-2,
     * 7,-4,7,3,6,-2,6,-4,7,-3,7,2/
      END
