CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.789839 22.624368 10.479098 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.58840000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.41160000 Z=0.75000000
Bi         NPT=  781  R0=.000005000 RMT= 2.23        Z:  83.00000              
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=0.18220000 Z=0.19500000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.81780000 Z=0.69500000
As         NPT=  781  R0=.000050000 RMT= 1.65        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.30220000 Y=0.39320000 Z=0.23700000
          MULT= 4          ISPLIT= 8
      -3: X=0.69780000 Y=0.60680000 Z=0.73700000
      -3: X=0.69780000 Y=0.39320000 Z=0.23700000
      -3: X=0.30220000 Y=0.60680000 Z=0.73700000
Ca         NPT=  781  R0=.000050000 RMT= 2.16        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.15090000 Y=0.49810000 Z=0.48500000
          MULT= 4          ISPLIT= 8
      -4: X=0.84910000 Y=0.50190000 Z=0.98500000
      -4: X=0.84910000 Y=0.49810000 Z=0.48500000
      -4: X=0.15090000 Y=0.50190000 Z=0.98500000
O          NPT=  781  R0=.000100000 RMT= 1.49        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  -5: X=0.00000000 Y=0.18020000 Z=0.50200000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.81980000 Z=0.00200000
O          NPT=  781  R0=.000100000 RMT= 1.49        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  -6: X=0.00000000 Y=0.05310000 Z=0.06700000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.94690000 Z=0.56700000
O          NPT=  781  R0=.000100000 RMT= 1.49        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  -7: X=0.15470000 Y=0.24320000 Z=0.08400000
          MULT= 4          ISPLIT= 8
      -7: X=0.84530000 Y=0.75680000 Z=0.58400000
      -7: X=0.84530000 Y=0.24320000 Z=0.08400000
      -7: X=0.15470000 Y=0.75680000 Z=0.58400000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000