P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma    
MODE OF CALC=RELA unit=bohr
 22.829781 15.818897 14.375147 90.000000 90.000000 90.000000
ATOM  -1: X=0.32200000 Y=0.00000000 Z=0.02200000
          MULT= 8          ISPLIT=15
      -1: X=0.67800000 Y=0.00000000 Z=0.97800000
      -1: X=0.82200000 Y=0.00000000 Z=0.47800000
      -1: X=0.17800000 Y=0.00000000 Z=0.52200000
      -1: X=0.17800000 Y=0.50000000 Z=0.52200000
      -1: X=0.82200000 Y=0.50000000 Z=0.47800000
      -1: X=0.67800000 Y=0.50000000 Z=0.97800000
      -1: X=0.32200000 Y=0.50000000 Z=0.02200000
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=0.01000000 Y=0.25000000 Z=0.07400000
          MULT= 4          ISPLIT=15
      -2: X=0.99000000 Y=0.75000000 Z=0.92600000
      -2: X=0.51000000 Y=0.25000000 Z=0.42600000
      -2: X=0.49000000 Y=0.75000000 Z=0.57400000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09800000 Y=0.54300000 Z=0.16400000
          MULT= 8          ISPLIT=15
      -3: X=0.90200000 Y=0.45700000 Z=0.83600000
      -3: X=0.59800000 Y=0.54300000 Z=0.33600000
      -3: X=0.40200000 Y=0.45700000 Z=0.66400000
      -3: X=0.40200000 Y=0.04300000 Z=0.66400000
      -3: X=0.59800000 Y=0.95700000 Z=0.33600000
      -3: X=0.90200000 Y=0.04300000 Z=0.83600000
      -3: X=0.09800000 Y=0.95700000 Z=0.16400000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18700000 Y=0.25000000 Z=0.82700000
          MULT= 4          ISPLIT=15
      -4: X=0.81300000 Y=0.75000000 Z=0.17300000
      -4: X=0.68700000 Y=0.25000000 Z=0.67300000
      -4: X=0.31300000 Y=0.75000000 Z=0.32700000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00100000 Y=0.25000000 Z=0.46000000
          MULT= 4          ISPLIT=15
      -5: X=0.99900000 Y=0.75000000 Z=0.54000000
      -5: X=0.50100000 Y=0.25000000 Z=0.04000000
      -5: X=0.49900000 Y=0.75000000 Z=0.96000000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.28400000 Y=0.25000000 Z=0.30200000
          MULT= 4          ISPLIT=15
      -6: X=0.71600000 Y=0.75000000 Z=0.69800000
      -6: X=0.78400000 Y=0.25000000 Z=0.19800000
      -6: X=0.21600000 Y=0.75000000 Z=0.80200000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000