P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.238520  9.360191 11.974250 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18120000 Y=0.25000000 Z=0.66960000
          MULT= 4          ISPLIT= 8
      -1: X=0.81880000 Y=0.75000000 Z=0.33040000
      -1: X=0.68120000 Y=0.25000000 Z=0.83040000
      -1: X=0.31880000 Y=0.75000000 Z=0.16960000
Ca         NPT=  781  R0=.000050000 RMT= 2.04        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=0.06060000 Y=0.25000000 Z=0.18340000
          MULT= 4          ISPLIT= 8
      -2: X=0.93940000 Y=0.75000000 Z=0.81660000
      -2: X=0.56060000 Y=0.25000000 Z=0.31660000
      -2: X=0.43940000 Y=0.75000000 Z=0.68340000
S          NPT=  781  R0=.000100000 RMT= 1.32        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  -3: X=0.38980000 Y=0.25000000 Z=0.43250000
          MULT= 4          ISPLIT= 8
      -3: X=0.61020000 Y=0.75000000 Z=0.56750000
      -3: X=0.88980000 Y=0.25000000 Z=0.06750000
      -3: X=0.11020000 Y=0.75000000 Z=0.93250000
O          NPT=  781  R0=.000100000 RMT= 1.39        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  -4: X=0.21410000 Y=0.25000000 Z=0.03410000
          MULT= 4          ISPLIT= 8
      -4: X=0.78590000 Y=0.75000000 Z=0.96590000
      -4: X=0.71410000 Y=0.25000000 Z=0.46590000
      -4: X=0.28590000 Y=0.75000000 Z=0.53410000
O          NPT=  781  R0=.000100000 RMT= 1.39        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=0.07130000 Y=0.01770000 Z=0.31930000
          MULT= 8          ISPLIT= 8
      -5: X=0.92870000 Y=0.98230000 Z=0.68070000
      -5: X=0.57130000 Y=0.01770000 Z=0.18070000
      -5: X=0.42870000 Y=0.98230000 Z=0.81930000
      -5: X=0.42870000 Y=0.51770000 Z=0.81930000
      -5: X=0.57130000 Y=0.48230000 Z=0.18070000
      -5: X=0.92870000 Y=0.51770000 Z=0.68070000
      -5: X=0.07130000 Y=0.48230000 Z=0.31930000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000