P   LATTICE,NONEQUIV.ATOMS   5   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.368927 10.404832 30.662696 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.48010000 Y=0.00450000 Z=0.17200000
          MULT= 8          ISPLIT= 8
      -1: X=0.51990000 Y=0.99550000 Z=0.82800000
      -1: X=0.98010000 Y=0.00450000 Z=0.32800000
      -1: X=0.01990000 Y=0.99550000 Z=0.67200000
      -1: X=0.01990000 Y=0.50450000 Z=0.17200000
      -1: X=0.98010000 Y=0.49550000 Z=0.82800000
      -1: X=0.51990000 Y=0.50450000 Z=0.32800000
      -1: X=0.48010000 Y=0.49550000 Z=0.67200000
Bi         NPT=  781  R0=.000005000 RMT= 2.19        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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 1.82        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.28100000 Y=0.24400000 Z=0.24900000
          MULT= 8          ISPLIT= 8
      -3: X=0.71900000 Y=0.75600000 Z=0.75100000
      -3: X=0.78100000 Y=0.24400000 Z=0.25100000
      -3: X=0.21900000 Y=0.75600000 Z=0.74900000
      -3: X=0.21900000 Y=0.74400000 Z=0.24900000
      -3: X=0.78100000 Y=0.25600000 Z=0.75100000
      -3: X=0.71900000 Y=0.74400000 Z=0.25100000
      -3: X=0.28100000 Y=0.25600000 Z=0.74900000
O          NPT=  781  R0=.000100000 RMT= 1.65        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  -4: X=0.20500000 Y=0.18700000 Z=0.48100000
          MULT= 8          ISPLIT= 8
      -4: X=0.79500000 Y=0.81300000 Z=0.51900000
      -4: X=0.70500000 Y=0.18700000 Z=0.01900000
      -4: X=0.29500000 Y=0.81300000 Z=0.98100000
      -4: X=0.29500000 Y=0.68700000 Z=0.48100000
      -4: X=0.70500000 Y=0.31300000 Z=0.51900000
      -4: X=0.79500000 Y=0.68700000 Z=0.01900000
      -4: X=0.20500000 Y=0.31300000 Z=0.98100000
O          NPT=  781  R0=.000100000 RMT= 1.65        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=0.06500000 Y=0.08200000 Z=0.10800000
          MULT= 8          ISPLIT= 8
      -5: X=0.93500000 Y=0.91800000 Z=0.89200000
      -5: X=0.56500000 Y=0.08200000 Z=0.39200000
      -5: X=0.43500000 Y=0.91800000 Z=0.60800000
      -5: X=0.43500000 Y=0.58200000 Z=0.10800000
      -5: X=0.56500000 Y=0.41800000 Z=0.89200000
      -5: X=0.93500000 Y=0.58200000 Z=0.39200000
      -5: X=0.06500000 Y=0.41800000 Z=0.60800000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000