P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.863581  5.935630 21.019424 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24440000 Y=0.25000000 Z=0.65270000
          MULT= 4          ISPLIT= 8
      -1: X=0.75560000 Y=0.75000000 Z=0.34730000
      -1: X=0.74440000 Y=0.25000000 Z=0.84730000
      -1: X=0.25560000 Y=0.75000000 Z=0.15270000
Ca         NPT=  781  R0=.000050000 RMT= 2.28        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  -2: X=0.08090000 Y=0.25000000 Z=0.39330000
          MULT= 4          ISPLIT= 8
      -2: X=0.91910000 Y=0.75000000 Z=0.60670000
      -2: X=0.58090000 Y=0.25000000 Z=0.10670000
      -2: X=0.41910000 Y=0.75000000 Z=0.89330000
Sc         NPT=  781  R0=.000050000 RMT= 2.04        Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.56770000 Y=0.25000000 Z=0.61200000
          MULT= 4          ISPLIT= 8
      -3: X=0.43230000 Y=0.75000000 Z=0.38800000
      -3: X=0.06770000 Y=0.25000000 Z=0.88800000
      -3: X=0.93230000 Y=0.75000000 Z=0.11200000
Sc         NPT=  781  R0=.000050000 RMT= 2.04        Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.29390000 Y=0.25000000 Z=0.32980000
          MULT= 4          ISPLIT= 8
      -4: X=0.70610000 Y=0.75000000 Z=0.67020000
      -4: X=0.79390000 Y=0.25000000 Z=0.17020000
      -4: X=0.20610000 Y=0.75000000 Z=0.82980000
O          NPT=  781  R0=.000100000 RMT= 1.84        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.37920000 Y=0.25000000 Z=0.02330000
          MULT= 4          ISPLIT= 8
      -5: X=0.62080000 Y=0.75000000 Z=0.97670000
      -5: X=0.87920000 Y=0.25000000 Z=0.47670000
      -5: X=0.12080000 Y=0.75000000 Z=0.52330000
O          NPT=  781  R0=.000100000 RMT= 1.84        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.48250000 Y=0.25000000 Z=0.78520000
          MULT= 4          ISPLIT= 8
      -6: X=0.51750000 Y=0.75000000 Z=0.21480000
      -6: X=0.98250000 Y=0.25000000 Z=0.71480000
      -6: X=0.01750000 Y=0.75000000 Z=0.28520000
O          NPT=  781  R0=.000100000 RMT= 1.84        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.07830000 Y=0.25000000 Z=0.07720000
          MULT= 4          ISPLIT= 8
      -7: X=0.92170000 Y=0.75000000 Z=0.92280000
      -7: X=0.57830000 Y=0.25000000 Z=0.42280000
      -7: X=0.42170000 Y=0.75000000 Z=0.57720000
O          NPT=  781  R0=.000100000 RMT= 1.84        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000