P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.866236 19.889368 12.392824 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.29380000 Y=0.25000000 Z=0.25190000
          MULT= 4          ISPLIT= 8
      -1: X=0.70620000 Y=0.75000000 Z=0.74810000
      -1: X=0.79380000 Y=0.25000000 Z=0.24810000
      -1: X=0.20620000 Y=0.75000000 Z=0.75190000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.25270000 Y=0.59210000 Z=0.31460000
          MULT= 8          ISPLIT= 8
      -2: X=0.74730000 Y=0.40790000 Z=0.68540000
      -2: X=0.75270000 Y=0.59210000 Z=0.18540000
      -2: X=0.24730000 Y=0.40790000 Z=0.81460000
      -2: X=0.24730000 Y=0.09210000 Z=0.81460000
      -2: X=0.75270000 Y=0.90790000 Z=0.18540000
      -2: X=0.74730000 Y=0.09210000 Z=0.68540000
      -2: X=0.25270000 Y=0.90790000 Z=0.31460000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.03390000 Y=0.25000000 Z=0.52440000
          MULT= 4          ISPLIT= 8
      -4: X=0.96610000 Y=0.75000000 Z=0.47560000
      -4: X=0.53390000 Y=0.25000000 Z=0.97560000
      -4: X=0.46610000 Y=0.75000000 Z=0.02440000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.34850000 Y=0.25000000 Z=0.60900000
          MULT= 4          ISPLIT= 8
      -5: X=0.65150000 Y=0.75000000 Z=0.39100000
      -5: X=0.84850000 Y=0.25000000 Z=0.89100000
      -5: X=0.15150000 Y=0.75000000 Z=0.10900000
S          NPT=  781  R0=.000100000 RMT= 2.09        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.14360000 Y=0.25000000 Z=0.04000000
          MULT= 4          ISPLIT= 8
      -6: X=0.85640000 Y=0.75000000 Z=0.96000000
      -6: X=0.64360000 Y=0.25000000 Z=0.46000000
      -6: X=0.35640000 Y=0.75000000 Z=0.54000000
S          NPT=  781  R0=.000100000 RMT= 2.09        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.36150000 Y=0.03760000 Z=0.09900000
          MULT= 8          ISPLIT= 8
      -7: X=0.63850000 Y=0.96240000 Z=0.90100000
      -7: X=0.86150000 Y=0.03760000 Z=0.40100000
      -7: X=0.13850000 Y=0.96240000 Z=0.59900000
      -7: X=0.13850000 Y=0.53760000 Z=0.59900000
      -7: X=0.86150000 Y=0.46240000 Z=0.40100000
      -7: X=0.63850000 Y=0.53760000 Z=0.90100000
      -7: X=0.36150000 Y=0.46240000 Z=0.09900000
S          NPT=  781  R0=.000100000 RMT= 2.09        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000