CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 38.125225 21.862242 18.247196 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07090000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.92910000 Y=0.00000000 Z=0.00000000
      -1: X=0.07090000 Y=0.50000000 Z=0.50000000
      -1: X=0.92910000 Y=0.50000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.48450000 Z=0.28740000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.51550000 Z=0.71260000
      -2: X=0.00000000 Y=0.98450000 Z=0.21260000
      -2: X=0.00000000 Y=0.01550000 Z=0.78740000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.14310000 Z=0.12430000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.85690000 Z=0.87570000
      -3: X=0.00000000 Y=0.64310000 Z=0.37570000
      -3: X=0.00000000 Y=0.35690000 Z=0.62430000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.11305000 Y=0.30980000 Z=0.38330000
          MULT= 8          ISPLIT= 8
      -4: X=0.88695000 Y=0.69020000 Z=0.61670000
      -4: X=0.11305000 Y=0.80980000 Z=0.11670000
      -4: X=0.88695000 Y=0.19020000 Z=0.88330000
      -4: X=0.88695000 Y=0.30980000 Z=0.38330000
      -4: X=0.11305000 Y=0.69020000 Z=0.61670000
      -4: X=0.88695000 Y=0.80980000 Z=0.11670000
      -4: X=0.11305000 Y=0.19020000 Z=0.88330000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.16676000 Y=0.07520000 Z=0.16610000
          MULT= 8          ISPLIT= 8
      -5: X=0.83324000 Y=0.92480000 Z=0.83390000
      -5: X=0.16676000 Y=0.57520000 Z=0.33390000
      -5: X=0.83324000 Y=0.42480000 Z=0.66610000
      -5: X=0.83324000 Y=0.07520000 Z=0.16610000
      -5: X=0.16676000 Y=0.92480000 Z=0.83390000
      -5: X=0.83324000 Y=0.57520000 Z=0.33390000
      -5: X=0.16676000 Y=0.42480000 Z=0.66610000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.21830000 Y=0.35223000 Z=0.07790000
          MULT= 8          ISPLIT= 8
      -6: X=0.78170000 Y=0.64777000 Z=0.92210000
      -6: X=0.21830000 Y=0.85223000 Z=0.42210000
      -6: X=0.78170000 Y=0.14777000 Z=0.57790000
      -6: X=0.78170000 Y=0.35223000 Z=0.07790000
      -6: X=0.21830000 Y=0.64777000 Z=0.92210000
      -6: X=0.78170000 Y=0.85223000 Z=0.42210000
      -6: X=0.21830000 Y=0.14777000 Z=0.57790000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.18906000 Y=0.18607000 Z=0.01580000
          MULT= 8          ISPLIT= 8
      -7: X=0.81094000 Y=0.81393000 Z=0.98420000
      -7: X=0.18906000 Y=0.68607000 Z=0.48420000
      -7: X=0.81094000 Y=0.31393000 Z=0.51580000
      -7: X=0.81094000 Y=0.18607000 Z=0.01580000
      -7: X=0.18906000 Y=0.81393000 Z=0.98420000
      -7: X=0.81094000 Y=0.68607000 Z=0.48420000
      -7: X=0.18906000 Y=0.31393000 Z=0.51580000
P          NPT=  781  R0=.000100000 RMT= 1.82        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000