CXY LATTICE,NONEQUIV.ATOMS   8   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 47.139218 10.258567 10.322629 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.24840000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.75160000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.23        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.19894000 Y=0.22510000 Z=0.48650000
          MULT= 4          ISPLIT= 8
      -2: X=0.80106000 Y=0.77490000 Z=0.98650000
      -2: X=0.80106000 Y=0.22510000 Z=0.48650000
      -2: X=0.19894000 Y=0.77490000 Z=0.98650000
Bi         NPT=  781  R0=.000005000 RMT= 2.27        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08320000 Y=0.25100000 Z=0.02850000
          MULT= 4          ISPLIT= 8
      -3: X=0.91680000 Y=0.74900000 Z=0.52850000
      -3: X=0.91680000 Y=0.25100000 Z=0.02850000
      -3: X=0.08320000 Y=0.74900000 Z=0.52850000
Ta         NPT=  781  R0=.000005000 RMT= 1.86        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.31750000 Z=0.05750000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.68250000 Z=0.55750000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.15561000 Y=0.18000000 Z=0.02990000
          MULT= 4          ISPLIT= 8
      -5: X=0.84439000 Y=0.82000000 Z=0.52990000
      -5: X=0.84439000 Y=0.18000000 Z=0.02990000
      -5: X=0.15561000 Y=0.82000000 Z=0.52990000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.24975000 Y=0.49520000 Z=0.25350000
          MULT= 4          ISPLIT= 8
      -6: X=0.75025000 Y=0.50480000 Z=0.75350000
      -6: X=0.75025000 Y=0.49520000 Z=0.25350000
      -6: X=0.24975000 Y=0.50480000 Z=0.75350000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.43611000 Y=0.46380000 Z=0.25550000
          MULT= 4          ISPLIT= 8
      -7: X=0.56389000 Y=0.53620000 Z=0.75550000
      -7: X=0.56389000 Y=0.46380000 Z=0.25550000
      -7: X=0.43611000 Y=0.53620000 Z=0.75550000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.08578000 Y=0.44900000 Z=0.34230000
          MULT= 4          ISPLIT= 8
      -8: X=0.91422000 Y=0.55100000 Z=0.84230000
      -8: X=0.91422000 Y=0.44900000 Z=0.34230000
      -8: X=0.08578000 Y=0.55100000 Z=0.84230000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000