P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.936654 16.464428 14.413319 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06200000 Y=0.05400000 Z=0.19600000
          MULT= 8          ISPLIT= 8
      -1: X=0.93800000 Y=0.94600000 Z=0.80400000
      -1: X=0.56200000 Y=0.05400000 Z=0.30400000
      -1: X=0.43800000 Y=0.94600000 Z=0.69600000
      -1: X=0.43800000 Y=0.55400000 Z=0.69600000
      -1: X=0.56200000 Y=0.44600000 Z=0.30400000
      -1: X=0.93800000 Y=0.55400000 Z=0.80400000
      -1: X=0.06200000 Y=0.44600000 Z=0.19600000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21600000 Y=0.25000000 Z=0.82600000
          MULT= 4          ISPLIT= 8
      -2: X=0.78400000 Y=0.75000000 Z=0.17400000
      -2: X=0.71600000 Y=0.25000000 Z=0.67400000
      -2: X=0.28400000 Y=0.75000000 Z=0.32600000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00600000 Y=0.25000000 Z=0.52800000
          MULT= 4          ISPLIT= 8
      -3: X=0.99400000 Y=0.75000000 Z=0.47200000
      -3: X=0.50600000 Y=0.25000000 Z=0.97200000
      -3: X=0.49400000 Y=0.75000000 Z=0.02800000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28000000 Y=0.25000000 Z=0.33900000
          MULT= 4          ISPLIT= 8
      -4: X=0.72000000 Y=0.75000000 Z=0.66100000
      -4: X=0.78000000 Y=0.25000000 Z=0.16100000
      -4: X=0.22000000 Y=0.75000000 Z=0.83900000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.46800000 Y=0.25000000 Z=0.58600000
          MULT= 4          ISPLIT= 8
      -5: X=0.53200000 Y=0.75000000 Z=0.41400000
      -5: X=0.96800000 Y=0.25000000 Z=0.91400000
      -5: X=0.03200000 Y=0.75000000 Z=0.08600000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.32600000 Y=0.00800000 Z=0.06800000
          MULT= 8          ISPLIT= 8
      -6: X=0.67400000 Y=0.99200000 Z=0.93200000
      -6: X=0.82600000 Y=0.00800000 Z=0.43200000
      -6: X=0.17400000 Y=0.99200000 Z=0.56800000
      -6: X=0.17400000 Y=0.50800000 Z=0.56800000
      -6: X=0.82600000 Y=0.49200000 Z=0.43200000
      -6: X=0.67400000 Y=0.50800000 Z=0.93200000
      -6: X=0.32600000 Y=0.49200000 Z=0.06800000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000