P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 39.489607  7.115575  7.505047 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06669000 Y=0.25000000 Z=0.05490000
          MULT= 4          ISPLIT= 8
      -1: X=0.93331000 Y=0.75000000 Z=0.94510000
      -1: X=0.56669000 Y=0.25000000 Z=0.44510000
      -1: X=0.43331000 Y=0.75000000 Z=0.55490000
Nb         NPT=  781  R0=.000010000 RMT= 1.76        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.07330000 Y=0.25000000 Z=0.50200000
          MULT= 4          ISPLIT= 8
      -2: X=0.92670000 Y=0.75000000 Z=0.49800000
      -2: X=0.57330000 Y=0.25000000 Z=0.99800000
      -2: X=0.42670000 Y=0.75000000 Z=0.00200000
O          NPT=  781  R0=.000100000 RMT= 1.59        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  -3: X=0.32455000 Y=0.25000000 Z=0.49920000
          MULT= 4          ISPLIT= 8
      -3: X=0.67545000 Y=0.75000000 Z=0.50080000
      -3: X=0.82455000 Y=0.25000000 Z=0.00080000
      -3: X=0.17545000 Y=0.75000000 Z=0.99920000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.46730000 Y=0.25000000 Z=0.49700000
          MULT= 4          ISPLIT= 8
      -4: X=0.53270000 Y=0.75000000 Z=0.50300000
      -4: X=0.96730000 Y=0.25000000 Z=0.00300000
      -4: X=0.03270000 Y=0.75000000 Z=0.99700000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000