P   LATTICE,NONEQUIV.ATOMS   6   29 Pca21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.692826 20.859931 10.861390 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.47910000 Y=0.11043000 Z=0.30291000
          MULT= 4          ISPLIT= 8
      -1: X=0.52090000 Y=0.88957000 Z=0.80291000
      -1: X=0.02090000 Y=0.11043000 Z=0.80291000
      -1: X=0.97910000 Y=0.88957000 Z=0.30291000
Bi         NPT=  781  R0=.000005000 RMT= 2.32        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=0.00232000 Y=0.36709000 Z=0.32740000
          MULT= 4          ISPLIT= 8
      -2: X=0.99768000 Y=0.63291000 Z=0.82740000
      -2: X=0.49768000 Y=0.36709000 Z=0.82740000
      -2: X=0.50232000 Y=0.63291000 Z=0.32740000
I          NPT=  781  R0=.000010000 RMT= 1.83        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  -3: X=0.23360000 Y=0.00320000 Z=0.07500000
          MULT= 4          ISPLIT= 8
      -3: X=0.76640000 Y=0.99680000 Z=0.57500000
      -3: X=0.26640000 Y=0.00320000 Z=0.57500000
      -3: X=0.73360000 Y=0.99680000 Z=0.07500000
O          NPT=  781  R0=.000100000 RMT= 1.58        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=0.12060000 Y=0.21960000 Z=0.42280000
          MULT= 4          ISPLIT= 8
      -4: X=0.87940000 Y=0.78040000 Z=0.92280000
      -4: X=0.37940000 Y=0.21960000 Z=0.92280000
      -4: X=0.62060000 Y=0.78040000 Z=0.42280000
O          NPT=  781  R0=.000100000 RMT= 1.58        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=0.34800000 Y=0.70210000 Z=0.08500000
          MULT= 4          ISPLIT= 8
      -5: X=0.65200000 Y=0.29790000 Z=0.58500000
      -5: X=0.15200000 Y=0.70210000 Z=0.58500000
      -5: X=0.84800000 Y=0.29790000 Z=0.08500000
O          NPT=  781  R0=.000100000 RMT= 1.58        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=0.25260000 Y=0.43280000 Z=0.17530000
          MULT= 4          ISPLIT= 8
      -6: X=0.74740000 Y=0.56720000 Z=0.67530000
      -6: X=0.24740000 Y=0.43280000 Z=0.67530000
      -6: X=0.75260000 Y=0.56720000 Z=0.17530000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000