P   LATTICE,NONEQUIV.ATOMS   5   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.406052  8.889272  8.923287 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.14300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.85700000 Z=0.75000000
Cd         NPT=  781  R0=.000010000 RMT= 2.13        Z:  48.00000              
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=0.67100000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.32900000 Z=0.25000000
S          NPT=  781  R0=.000100000 RMT= 1.32        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.34700000 Z=0.64800000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.65300000 Z=0.14800000
O          NPT=  781  R0=.000100000 RMT= 1.39        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  -4: X=0.00000000 Y=0.71500000 Z=0.05200000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.28500000 Z=0.55200000
O          NPT=  781  R0=.000100000 RMT= 1.39        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  -5: X=0.31000000 Y=0.20100000 Z=0.09500000
          MULT= 4          ISPLIT= 8
      -5: X=0.19000000 Y=0.79900000 Z=0.59500000
      -5: X=0.69000000 Y=0.20100000 Z=0.09500000
      -5: X=0.81000000 Y=0.79900000 Z=0.59500000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000