CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 30.069322 17.946729 32.473054 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.17613000 Z=0.41407000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.82387000 Z=0.58593000
      -1: X=0.00000000 Y=0.67613000 Z=0.08593000
      -1: X=0.00000000 Y=0.32387000 Z=0.91407000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.21699000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.78301000 Y=0.00000000 Z=0.00000000
      -2: X=0.21699000 Y=0.50000000 Z=0.50000000
      -2: X=0.78301000 Y=0.50000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
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=0.27971000 Z=0.21836000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.72029000 Z=0.78164000
      -3: X=0.00000000 Y=0.77971000 Z=0.28164000
      -3: X=0.00000000 Y=0.22029000 Z=0.71836000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.06809000 Z=0.08473000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.93191000 Z=0.91527000
      -4: X=0.00000000 Y=0.56809000 Z=0.41527000
      -4: X=0.00000000 Y=0.43191000 Z=0.58473000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.11838000 Y=0.31478000 Z=0.09191000
          MULT= 8          ISPLIT= 8
      -5: X=0.88162000 Y=0.68522000 Z=0.90809000
      -5: X=0.11838000 Y=0.81478000 Z=0.40809000
      -5: X=0.88162000 Y=0.18522000 Z=0.59191000
      -5: X=0.88162000 Y=0.31478000 Z=0.09191000
      -5: X=0.11838000 Y=0.68522000 Z=0.90809000
      -5: X=0.88162000 Y=0.81478000 Z=0.40809000
      -5: X=0.11838000 Y=0.18522000 Z=0.59191000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.27651000 Y=0.23581000 Z=0.16310000
          MULT= 8          ISPLIT= 8
      -6: X=0.72349000 Y=0.76419000 Z=0.83690000
      -6: X=0.27651000 Y=0.73581000 Z=0.33690000
      -6: X=0.72349000 Y=0.26419000 Z=0.66310000
      -6: X=0.72349000 Y=0.23581000 Z=0.16310000
      -6: X=0.27651000 Y=0.76419000 Z=0.83690000
      -6: X=0.72349000 Y=0.73581000 Z=0.33690000
      -6: X=0.27651000 Y=0.26419000 Z=0.66310000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.13449000 Y=0.00936000 Z=0.22868000
          MULT= 8          ISPLIT= 8
      -7: X=0.86551000 Y=0.99064000 Z=0.77132000
      -7: X=0.13449000 Y=0.50936000 Z=0.27132000
      -7: X=0.86551000 Y=0.49064000 Z=0.72868000
      -7: X=0.86551000 Y=0.00936000 Z=0.22868000
      -7: X=0.13449000 Y=0.99064000 Z=0.77132000
      -7: X=0.86551000 Y=0.50936000 Z=0.27132000
      -7: X=0.13449000 Y=0.49064000 Z=0.72868000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000