c--------------------CuGaTe2---------------------------------
     go   data/cugate2
c------------------------------------------------------------
c   brvtyp     a        c/a   b/a   alpha   beta   gamma
     bct      11.5388   1.992  1    90      90     90
c------------------------------------------------------------
c   edelt    ewidth    reltyp   sdftyp   magtyp   record
    0.001    0.7         sra     pbe      nmag     2nd
c------------------------------------------------------------
c   outtyp    bzqlty   maxitr   pmix
    update      4        500   0.015
c------------------------------------------------------------
c    ntyp
      5
c------------------------------------------------------------
c   type    ncmp    rmt    field   mxl  anclr   conc
    Cu       1       0      0.0     2     29    100
    Ga       1       0      0.0     2     31    100
    Te       1       0      0.0     2     52    100
    Es1      1       0      0.0     0      0    100
    Es2      1       0      0.0     0      0    100
c------------------------------------------------------------
c   natm
     16
c------------------------------------------------------------
c   atmicx                        atmtyp
    0.23703x   1/4y       1/8z    Te
    0.76297x   3/4y       1/8z    Te
    3/4x       0.23703y   3/8z    Te
    1/4x       0.76297y   3/8z    Te
    1/2x       1/2y       0.0z    Ga
    1/2x       0.0y       1/4z    Ga
    0.0x       0.0y       0.0z    Cu
    0.0x       1/2y       1/4z    Cu
c
    0.75x      1/4y       1/8z    Es1
    0.25x      3/4y       1/8z    Es1
    3/4x       0.75y      3/8z    Es1
    1/4x       0.25y      3/8z    Es1
c
    0.0x       0.0y       0.25z   Es2
    1/2x       1/2y       0.25z   Es2
    0.0x       1/2y       0.0z    Es2
    1/2x       0.0y       0.0z    Es2
c------------------------------------------------------------

c--------------------CuGaTe2---------------------------------
     dos   data/cugate2
c------------------------------------------------------------
c   brvtyp     a        c/a   b/a   alpha   beta   gamma
     bct      11.5388   1.992  1    90      90     90
c------------------------------------------------------------
c   edelt    ewidth    reltyp   sdftyp   magtyp   record
    0.001    0.8         sra      pbe       nmag     2nd
c------------------------------------------------------------
c   outtyp    bzqlty   maxitr   pmix
    update      4        500   0.015
c------------------------------------------------------------
c    ntyp
      5
c------------------------------------------------------------
c   type    ncmp    rmt    field   mxl  anclr   conc
    Cu       1       0      0.0     2     29    100
    Ga       1       0      0.0     2     31    100
    Te       1       0      0.0     2     52    100
    Es1      1       0      0.0     0      0    100
    Es2      1       0      0.0     0      0    100
c------------------------------------------------------------
c   natm
     16
c------------------------------------------------------------
c   atmicx                        atmtyp
    0.23703x   1/4y       1/8z    Te
    0.76297x   3/4y       1/8z    Te
    3/4x       0.23703y   3/8z    Te
    1/4x       0.76297y   3/8z    Te
    1/2x       1/2y       0.0z    Ga
    1/2x       0.0y       1/4z    Ga
    0.0x       0.0y       0.0z    Cu
    0.0x       1/2y       1/4z    Cu
c
    0.75x      1/4y       1/8z    Es1
    0.25x      3/4y       1/8z    Es1
    3/4x       0.75y      3/8z    Es1
    1/4x       0.25y      3/8z    Es1
c
    0.0x       0.0y       0.25z   Es2
    1/2x       1/2y       0.25z   Es2
    0.0x       1/2y       0.0z    Es2
    1/2x       0.0y       0.0z    Es2
c------------------------------------------------------------