P   LATTICE,NONEQUIV.ATOMS   4  205 Pa-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.651133 16.651133 16.651133 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 4          ISPLIT= 4
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
Y          NPT=  781  R0=.000010000 RMT= 2.22        Z:  39.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.23747000 Y=0.23747000 Z=0.23747000
          MULT= 8          ISPLIT= 4
      -3: X=0.76253000 Y=0.76253000 Z=0.76253000
      -3: X=0.26253000 Y=0.76253000 Z=0.73747000
      -3: X=0.73747000 Y=0.23747000 Z=0.26253000
      -3: X=0.73747000 Y=0.26253000 Z=0.76253000
      -3: X=0.26253000 Y=0.73747000 Z=0.23747000
      -3: X=0.76253000 Y=0.73747000 Z=0.26253000
      -3: X=0.23747000 Y=0.26253000 Z=0.73747000
Se         NPT=  781  R0=.000050000 RMT= 1.67        Z:  34.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.08193000 Y=0.31994000 Z=0.16138000
          MULT=24          ISPLIT= 8
      -4: X=0.91807000 Y=0.68006000 Z=0.83862000
      -4: X=0.41807000 Y=0.68006000 Z=0.66138000
      -4: X=0.58193000 Y=0.31994000 Z=0.33862000
      -4: X=0.58193000 Y=0.18006000 Z=0.83862000
      -4: X=0.41807000 Y=0.81994000 Z=0.16138000
      -4: X=0.16138000 Y=0.08193000 Z=0.31994000
      -4: X=0.83862000 Y=0.91807000 Z=0.68006000
      -4: X=0.91807000 Y=0.81994000 Z=0.33862000
      -4: X=0.08193000 Y=0.18006000 Z=0.66138000
      -4: X=0.33862000 Y=0.91807000 Z=0.81994000
      -4: X=0.66138000 Y=0.08193000 Z=0.18006000
      -4: X=0.66138000 Y=0.41807000 Z=0.68006000
      -4: X=0.33862000 Y=0.58193000 Z=0.31994000
      -4: X=0.83862000 Y=0.58193000 Z=0.18006000
      -4: X=0.16138000 Y=0.41807000 Z=0.81994000
      -4: X=0.31994000 Y=0.16138000 Z=0.08193000
      -4: X=0.68006000 Y=0.83862000 Z=0.91807000
      -4: X=0.18006000 Y=0.83862000 Z=0.58193000
      -4: X=0.81994000 Y=0.16138000 Z=0.41807000
      -4: X=0.81994000 Y=0.33862000 Z=0.91807000
      -4: X=0.18006000 Y=0.66138000 Z=0.08193000
      -4: X=0.68006000 Y=0.66138000 Z=0.41807000
      -4: X=0.31994000 Y=0.33862000 Z=0.58193000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000