P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.691497 18.056333 15.677168 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07500000 Y=0.04200000 Z=0.19300000
          MULT= 8          ISPLIT= 8
      -1: X=0.92500000 Y=0.95800000 Z=0.80700000
      -1: X=0.57500000 Y=0.04200000 Z=0.30700000
      -1: X=0.42500000 Y=0.95800000 Z=0.69300000
      -1: X=0.42500000 Y=0.54200000 Z=0.69300000
      -1: X=0.57500000 Y=0.45800000 Z=0.30700000
      -1: X=0.92500000 Y=0.54200000 Z=0.80700000
      -1: X=0.07500000 Y=0.45800000 Z=0.19300000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.22700000 Y=0.25000000 Z=0.82100000
          MULT= 4          ISPLIT= 8
      -2: X=0.77300000 Y=0.75000000 Z=0.17900000
      -2: X=0.72700000 Y=0.25000000 Z=0.67900000
      -2: X=0.27300000 Y=0.75000000 Z=0.32100000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00600000 Y=0.25000000 Z=0.53600000
          MULT= 4          ISPLIT= 8
      -3: X=0.99400000 Y=0.75000000 Z=0.46400000
      -3: X=0.50600000 Y=0.25000000 Z=0.96400000
      -3: X=0.49400000 Y=0.75000000 Z=0.03600000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28900000 Y=0.25000000 Z=0.35200000
          MULT= 4          ISPLIT= 8
      -4: X=0.71100000 Y=0.75000000 Z=0.64800000
      -4: X=0.78900000 Y=0.25000000 Z=0.14800000
      -4: X=0.21100000 Y=0.75000000 Z=0.85200000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.48300000 Y=0.25000000 Z=0.57800000
          MULT= 4          ISPLIT= 8
      -5: X=0.51700000 Y=0.75000000 Z=0.42200000
      -5: X=0.98300000 Y=0.25000000 Z=0.92200000
      -5: X=0.01700000 Y=0.75000000 Z=0.07800000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33000000 Y=0.01500000 Z=0.06700000
          MULT= 8          ISPLIT= 8
      -6: X=0.67000000 Y=0.98500000 Z=0.93300000
      -6: X=0.83000000 Y=0.01500000 Z=0.43300000
      -6: X=0.17000000 Y=0.98500000 Z=0.56700000
      -6: X=0.17000000 Y=0.51500000 Z=0.56700000
      -6: X=0.83000000 Y=0.48500000 Z=0.43300000
      -6: X=0.67000000 Y=0.51500000 Z=0.93300000
      -6: X=0.33000000 Y=0.48500000 Z=0.06700000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000