P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma    
MODE OF CALC=RELA unit=bohr
 14.602481 21.052683 14.339431 90.000000 90.000000 90.000000
ATOM  -1: X=0.49700000 Y=0.25000000 Z=0.75900000
          MULT= 4          ISPLIT=15
      -1: X=0.50300000 Y=0.75000000 Z=0.24100000
      -1: X=0.99700000 Y=0.25000000 Z=0.74100000
      -1: X=0.00300000 Y=0.75000000 Z=0.25900000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25020000 Y=0.02800000 Z=0.44220000
          MULT= 8          ISPLIT=15
      -2: X=0.74980000 Y=0.97200000 Z=0.55780000
      -2: X=0.75020000 Y=0.02800000 Z=0.05780000
      -2: X=0.24980000 Y=0.97200000 Z=0.94220000
      -2: X=0.24980000 Y=0.52800000 Z=0.94220000
      -2: X=0.75020000 Y=0.47200000 Z=0.05780000
      -2: X=0.74980000 Y=0.52800000 Z=0.55780000
      -2: X=0.25020000 Y=0.47200000 Z=0.44220000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00350000 Y=0.25000000 Z=0.25140000
          MULT= 4          ISPLIT=15
      -3: X=0.99650000 Y=0.75000000 Z=0.74860000
      -3: X=0.50350000 Y=0.25000000 Z=0.24860000
      -3: X=0.49650000 Y=0.75000000 Z=0.75140000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  42.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.02600000 Y=0.13000000 Z=0.06700000
          MULT= 8          ISPLIT=15
      -4: X=0.97400000 Y=0.87000000 Z=0.93300000
      -4: X=0.52600000 Y=0.13000000 Z=0.43300000
      -4: X=0.47400000 Y=0.87000000 Z=0.56700000
      -4: X=0.47400000 Y=0.63000000 Z=0.56700000
      -4: X=0.52600000 Y=0.37000000 Z=0.43300000
      -4: X=0.97400000 Y=0.63000000 Z=0.93300000
      -4: X=0.02600000 Y=0.37000000 Z=0.06700000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.44500000 Y=0.12000000 Z=0.07800000
          MULT= 8          ISPLIT=15
      -5: X=0.55500000 Y=0.88000000 Z=0.92200000
      -5: X=0.94500000 Y=0.12000000 Z=0.42200000
      -5: X=0.05500000 Y=0.88000000 Z=0.57800000
      -5: X=0.05500000 Y=0.62000000 Z=0.57800000
      -5: X=0.94500000 Y=0.38000000 Z=0.42200000
      -5: X=0.55500000 Y=0.62000000 Z=0.92200000
      -5: X=0.44500000 Y=0.38000000 Z=0.07800000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.23200000 Y=0.61600000 Z=0.22400000
          MULT= 8          ISPLIT=15
      -6: X=0.76800000 Y=0.38400000 Z=0.77600000
      -6: X=0.73200000 Y=0.61600000 Z=0.27600000
      -6: X=0.26800000 Y=0.38400000 Z=0.72400000
      -6: X=0.26800000 Y=0.11600000 Z=0.72400000
      -6: X=0.73200000 Y=0.88400000 Z=0.27600000
      -6: X=0.76800000 Y=0.11600000 Z=0.77600000
      -6: X=0.23200000 Y=0.88400000 Z=0.22400000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.23700000 Y=0.25000000 Z=0.31200000
          MULT= 4          ISPLIT=15
      -7: X=0.76300000 Y=0.75000000 Z=0.68800000
      -7: X=0.73700000 Y=0.25000000 Z=0.18800000
      -7: X=0.26300000 Y=0.75000000 Z=0.81200000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000