P   LATTICE,NONEQUIV.ATOMS   6  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 16.931946 16.931946 23.923933 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.00100000
          MULT= 4          ISPLIT= 8
      -1: X=0.25000000 Y=0.75000000 Z=0.99900000
      -1: X=0.25000000 Y=0.75000000 Z=0.50100000
      -1: X=0.75000000 Y=0.25000000 Z=0.49900000
As         NPT=  781  R0=.000050000 RMT= 2.29        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  -2: X=0.25000000 Y=0.25000000 Z=0.00900000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.75000000 Z=0.99100000
      -2: X=0.25000000 Y=0.25000000 Z=0.50900000
      -2: X=0.75000000 Y=0.75000000 Z=0.49100000
As         NPT=  781  R0=.000050000 RMT= 2.29        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=0.49700000 Y=0.50300000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.50300000 Y=0.49700000 Z=0.75000000
      -3: X=0.99700000 Y=0.49700000 Z=0.75000000
      -3: X=0.00300000 Y=0.50300000 Z=0.25000000
      -3: X=0.00300000 Y=0.99700000 Z=0.25000000
      -3: X=0.99700000 Y=0.00300000 Z=0.75000000
      -3: X=0.50300000 Y=0.00300000 Z=0.75000000
      -3: X=0.49700000 Y=0.99700000 Z=0.25000000
As         NPT=  781  R0=.000050000 RMT= 2.29        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.00600000 Z=0.39100000
          MULT= 8          ISPLIT= 8
      -4: X=0.75000000 Y=0.99400000 Z=0.60900000
      -4: X=0.49400000 Y=0.25000000 Z=0.89100000
      -4: X=0.50600000 Y=0.75000000 Z=0.10900000
      -4: X=0.25000000 Y=0.49400000 Z=0.39100000
      -4: X=0.75000000 Y=0.50600000 Z=0.60900000
      -4: X=0.00600000 Y=0.25000000 Z=0.89100000
      -4: X=0.99400000 Y=0.75000000 Z=0.10900000
Cd         NPT=  781  R0=.000010000 RMT= 2.40        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  -5: X=0.25000000 Y=0.53700000 Z=0.85000000
          MULT= 8          ISPLIT= 8
      -5: X=0.75000000 Y=0.46300000 Z=0.15000000
      -5: X=0.96300000 Y=0.25000000 Z=0.35000000
      -5: X=0.03700000 Y=0.75000000 Z=0.65000000
      -5: X=0.25000000 Y=0.96300000 Z=0.85000000
      -5: X=0.75000000 Y=0.03700000 Z=0.15000000
      -5: X=0.53700000 Y=0.25000000 Z=0.35000000
      -5: X=0.46300000 Y=0.75000000 Z=0.65000000
Cd         NPT=  781  R0=.000010000 RMT= 2.40        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  -6: X=0.25000000 Y=0.02900000 Z=0.12900000
          MULT= 8          ISPLIT= 8
      -6: X=0.75000000 Y=0.97100000 Z=0.87100000
      -6: X=0.47100000 Y=0.25000000 Z=0.62900000
      -6: X=0.52900000 Y=0.75000000 Z=0.37100000
      -6: X=0.25000000 Y=0.47100000 Z=0.12900000
      -6: X=0.75000000 Y=0.52900000 Z=0.87100000
      -6: X=0.02900000 Y=0.25000000 Z=0.62900000
      -6: X=0.97100000 Y=0.75000000 Z=0.37100000
Cd         NPT=  781  R0=.000010000 RMT= 2.40        Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000