P   LATTICE,NONEQUIV.ATOMS   4   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.765100 18.309557 31.454491 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14030000 Y=0.19830000 Z=0.42300000
          MULT= 8          ISPLIT= 8
      -1: X=0.85970000 Y=0.80170000 Z=0.57700000
      -1: X=0.64030000 Y=0.19830000 Z=0.07700000
      -1: X=0.35970000 Y=0.80170000 Z=0.92300000
      -1: X=0.35970000 Y=0.69830000 Z=0.42300000
      -1: X=0.64030000 Y=0.30170000 Z=0.57700000
      -1: X=0.85970000 Y=0.69830000 Z=0.07700000
      -1: X=0.14030000 Y=0.30170000 Z=0.92300000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23660000 Y=0.03070000 Z=0.21490000
          MULT= 8          ISPLIT= 8
      -2: X=0.76340000 Y=0.96930000 Z=0.78510000
      -2: X=0.73660000 Y=0.03070000 Z=0.28510000
      -2: X=0.26340000 Y=0.96930000 Z=0.71490000
      -2: X=0.26340000 Y=0.53070000 Z=0.21490000
      -2: X=0.73660000 Y=0.46930000 Z=0.78510000
      -2: X=0.76340000 Y=0.53070000 Z=0.28510000
      -2: X=0.23660000 Y=0.46930000 Z=0.71490000
As         NPT=  781  R0=.000050000 RMT= 2.16        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13890000 Y=0.02770000 Z=0.08230000
          MULT= 8          ISPLIT= 8
      -3: X=0.86110000 Y=0.97230000 Z=0.91770000
      -3: X=0.63890000 Y=0.02770000 Z=0.41770000
      -3: X=0.36110000 Y=0.97230000 Z=0.58230000
      -3: X=0.36110000 Y=0.52770000 Z=0.08230000
      -3: X=0.63890000 Y=0.47230000 Z=0.91770000
      -3: X=0.86110000 Y=0.52770000 Z=0.41770000
      -3: X=0.13890000 Y=0.47230000 Z=0.58230000
Se         NPT=  781  R0=.000050000 RMT= 2.16        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.48550000 Y=0.37110000 Z=0.29260000
          MULT= 8          ISPLIT= 8
      -4: X=0.51450000 Y=0.62890000 Z=0.70740000
      -4: X=0.98550000 Y=0.37110000 Z=0.20740000
      -4: X=0.01450000 Y=0.62890000 Z=0.79260000
      -4: X=0.01450000 Y=0.87110000 Z=0.29260000
      -4: X=0.98550000 Y=0.12890000 Z=0.70740000
      -4: X=0.51450000 Y=0.87110000 Z=0.20740000
      -4: X=0.48550000 Y=0.12890000 Z=0.79260000
Se         NPT=  781  R0=.000050000 RMT= 2.16        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000