P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.401603 11.253319 19.723072 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16810000 Y=0.25000000 Z=0.41680000
          MULT= 4          ISPLIT= 8
      -1: X=0.83190000 Y=0.75000000 Z=0.58320000
      -1: X=0.66810000 Y=0.25000000 Z=0.08320000
      -1: X=0.33190000 Y=0.75000000 Z=0.91680000
K          NPT=  781  R0=.000050000 RMT= 2.46        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.49580000 Y=0.25000000 Z=0.70810000
          MULT= 4          ISPLIT= 8
      -2: X=0.50420000 Y=0.75000000 Z=0.29190000
      -2: X=0.99580000 Y=0.25000000 Z=0.79190000
      -2: X=0.00420000 Y=0.75000000 Z=0.20810000
K          NPT=  781  R0=.000050000 RMT= 2.46        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.22330000 Y=0.25000000 Z=0.08020000
          MULT= 4          ISPLIT= 8
      -3: X=0.77670000 Y=0.75000000 Z=0.91980000
      -3: X=0.72330000 Y=0.25000000 Z=0.41980000
      -3: X=0.27670000 Y=0.75000000 Z=0.58020000
Se         NPT=  781  R0=.000050000 RMT= 1.59        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.29220000 Y=0.02750000 Z=0.15470000
          MULT= 8          ISPLIT= 8
      -4: X=0.70780000 Y=0.97250000 Z=0.84530000
      -4: X=0.79220000 Y=0.02750000 Z=0.34530000
      -4: X=0.20780000 Y=0.97250000 Z=0.65470000
      -4: X=0.20780000 Y=0.52750000 Z=0.65470000
      -4: X=0.79220000 Y=0.47250000 Z=0.34530000
      -4: X=0.70780000 Y=0.52750000 Z=0.84530000
      -4: X=0.29220000 Y=0.47250000 Z=0.15470000
O          NPT=  781  R0=.000100000 RMT= 1.44        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=0.30610000 Y=0.25000000 Z=0.93530000
          MULT= 4          ISPLIT= 8
      -5: X=0.69390000 Y=0.75000000 Z=0.06470000
      -5: X=0.80610000 Y=0.25000000 Z=0.56470000
      -5: X=0.19390000 Y=0.75000000 Z=0.43530000
O          NPT=  781  R0=.000100000 RMT= 1.44        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=0.01160000 Y=0.25000000 Z=0.07300000
          MULT= 4          ISPLIT= 8
      -6: X=0.98840000 Y=0.75000000 Z=0.92700000
      -6: X=0.51160000 Y=0.25000000 Z=0.42700000
      -6: X=0.48840000 Y=0.75000000 Z=0.57300000
O          NPT=  781  R0=.000100000 RMT= 1.44        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000