CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.863342 23.738740 23.738740 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.13570000 Z=0.06530000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.86430000 Z=0.93470000
      -1: X=0.00000000 Y=0.63570000 Z=0.43470000
      -1: X=0.00000000 Y=0.36430000 Z=0.56530000
Mo         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  42.00000              
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=0.43460000 Z=0.36440000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.56540000 Z=0.63560000
      -2: X=0.00000000 Y=0.93460000 Z=0.13560000
      -2: X=0.00000000 Y=0.06540000 Z=0.86440000
Mo         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.11930000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.88070000 Y=0.00000000 Z=0.00000000
      -3: X=0.11930000 Y=0.50000000 Z=0.50000000
      -3: X=0.88070000 Y=0.50000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.37630000 Y=0.29140000 Z=0.07330000
          MULT= 8          ISPLIT= 8
      -4: X=0.62370000 Y=0.70860000 Z=0.92670000
      -4: X=0.37630000 Y=0.79140000 Z=0.42670000
      -4: X=0.62370000 Y=0.20860000 Z=0.57330000
      -4: X=0.62370000 Y=0.29140000 Z=0.07330000
      -4: X=0.37630000 Y=0.70860000 Z=0.92670000
      -4: X=0.62370000 Y=0.79140000 Z=0.42670000
      -4: X=0.37630000 Y=0.20860000 Z=0.57330000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12330000 Y=0.07360000 Z=0.20850000
          MULT= 8          ISPLIT= 8
      -5: X=0.87670000 Y=0.92640000 Z=0.79150000
      -5: X=0.12330000 Y=0.57360000 Z=0.29150000
      -5: X=0.87670000 Y=0.42640000 Z=0.70850000
      -5: X=0.87670000 Y=0.07360000 Z=0.20850000
      -5: X=0.12330000 Y=0.92640000 Z=0.79150000
      -5: X=0.87670000 Y=0.57360000 Z=0.29150000
      -5: X=0.12330000 Y=0.42640000 Z=0.70850000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.34950000 Z=0.15080000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.65050000 Z=0.84920000
      -6: X=0.00000000 Y=0.84950000 Z=0.34920000
      -6: X=0.00000000 Y=0.15050000 Z=0.65080000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.29680000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.70320000 Y=0.00000000 Z=0.00000000
      -7: X=0.29680000 Y=0.50000000 Z=0.50000000
      -7: X=0.70320000 Y=0.50000000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000