P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.785433  6.991987 21.429494 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11510000 Y=0.25000000 Z=0.72400000
          MULT= 4          ISPLIT= 8
      -1: X=0.88490000 Y=0.75000000 Z=0.27600000
      -1: X=0.61510000 Y=0.25000000 Z=0.77600000
      -1: X=0.38490000 Y=0.75000000 Z=0.22400000
Y          NPT=  781  R0=.000010000 RMT= 2.25        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.13620000 Y=0.25000000 Z=0.05680000
          MULT= 4          ISPLIT= 8
      -2: X=0.86380000 Y=0.75000000 Z=0.94320000
      -2: X=0.63620000 Y=0.25000000 Z=0.44320000
      -2: X=0.36380000 Y=0.75000000 Z=0.55680000
Y          NPT=  781  R0=.000010000 RMT= 2.25        Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.17400000 Y=0.25000000 Z=0.38110000
          MULT= 4          ISPLIT= 8
      -3: X=0.82600000 Y=0.75000000 Z=0.61890000
      -3: X=0.67400000 Y=0.25000000 Z=0.11890000
      -3: X=0.32600000 Y=0.75000000 Z=0.88110000
Ti         NPT=  781  R0=.000050000 RMT= 1.77        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.49350000 Y=0.25000000 Z=0.60400000
          MULT= 4          ISPLIT= 8
      -4: X=0.50650000 Y=0.75000000 Z=0.39600000
      -4: X=0.99350000 Y=0.25000000 Z=0.89600000
      -4: X=0.00650000 Y=0.75000000 Z=0.10400000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.22330000 Y=0.25000000 Z=0.54330000
          MULT= 4          ISPLIT= 8
      -5: X=0.77670000 Y=0.75000000 Z=0.45670000
      -5: X=0.72330000 Y=0.25000000 Z=0.95670000
      -5: X=0.27670000 Y=0.75000000 Z=0.04330000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.25700000 Y=0.25000000 Z=0.23100000
          MULT= 4          ISPLIT= 8
      -6: X=0.74300000 Y=0.75000000 Z=0.76900000
      -6: X=0.75700000 Y=0.25000000 Z=0.26900000
      -6: X=0.24300000 Y=0.75000000 Z=0.73100000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.00710000 Y=0.25000000 Z=0.34330000
          MULT= 4          ISPLIT= 8
      -7: X=0.99290000 Y=0.75000000 Z=0.65670000
      -7: X=0.50710000 Y=0.25000000 Z=0.15670000
      -7: X=0.49290000 Y=0.75000000 Z=0.84330000
O          NPT=  781  R0=.000100000 RMT= 1.61        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  -8: X=0.26520000 Y=0.25000000 Z=0.88420000
          MULT= 4          ISPLIT= 8
      -8: X=0.73480000 Y=0.75000000 Z=0.11580000
      -8: X=0.76520000 Y=0.25000000 Z=0.61580000
      -8: X=0.23480000 Y=0.75000000 Z=0.38420000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000