P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.965858 22.397223 28.063189 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07862000 Y=0.51803000 Z=0.32924000
          MULT= 8          ISPLIT= 8
      -1: X=0.92138000 Y=0.48197000 Z=0.67076000
      -1: X=0.57862000 Y=0.51803000 Z=0.17076000
      -1: X=0.42138000 Y=0.48197000 Z=0.82924000
      -1: X=0.42138000 Y=0.01803000 Z=0.82924000
      -1: X=0.57862000 Y=0.98197000 Z=0.17076000
      -1: X=0.92138000 Y=0.01803000 Z=0.67076000
      -1: X=0.07862000 Y=0.98197000 Z=0.32924000
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=0.41964000 Y=0.25000000 Z=0.54981000
          MULT= 4          ISPLIT= 8
      -2: X=0.58036000 Y=0.75000000 Z=0.45019000
      -2: X=0.91964000 Y=0.25000000 Z=0.95019000
      -2: X=0.08036000 Y=0.75000000 Z=0.04981000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.30963000 Y=0.25000000 Z=0.10876000
          MULT= 4          ISPLIT= 8
      -3: X=0.69037000 Y=0.75000000 Z=0.89124000
      -3: X=0.80963000 Y=0.25000000 Z=0.39124000
      -3: X=0.19037000 Y=0.75000000 Z=0.60876000
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  -4: X=0.37015000 Y=0.25000000 Z=0.28935000
          MULT= 4          ISPLIT= 8
      -4: X=0.62985000 Y=0.75000000 Z=0.71065000
      -4: X=0.87015000 Y=0.25000000 Z=0.21065000
      -4: X=0.12985000 Y=0.75000000 Z=0.78935000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.04446000 Y=0.25000000 Z=0.49124000
          MULT= 4          ISPLIT= 8
      -5: X=0.95554000 Y=0.75000000 Z=0.50876000
      -5: X=0.54446000 Y=0.25000000 Z=0.00876000
      -5: X=0.45554000 Y=0.75000000 Z=0.99124000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.17578000 Y=0.25000000 Z=0.76445000
          MULT= 4          ISPLIT= 8
      -6: X=0.82422000 Y=0.75000000 Z=0.23555000
      -6: X=0.67578000 Y=0.25000000 Z=0.73555000
      -6: X=0.32422000 Y=0.75000000 Z=0.26445000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.18676000 Y=0.05113000 Z=0.06232000
          MULT= 8          ISPLIT= 8
      -7: X=0.81324000 Y=0.94887000 Z=0.93768000
      -7: X=0.68676000 Y=0.05113000 Z=0.43768000
      -7: X=0.31324000 Y=0.94887000 Z=0.56232000
      -7: X=0.31324000 Y=0.55113000 Z=0.56232000
      -7: X=0.68676000 Y=0.44887000 Z=0.43768000
      -7: X=0.81324000 Y=0.55113000 Z=0.93768000
      -7: X=0.18676000 Y=0.44887000 Z=0.06232000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000