P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.401526  7.263540 21.259041 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02925000 Y=0.25000000 Z=0.67397000
          MULT= 4          ISPLIT= 8
      -1: X=0.97075000 Y=0.75000000 Z=0.32603000
      -1: X=0.52925000 Y=0.25000000 Z=0.82603000
      -1: X=0.47075000 Y=0.75000000 Z=0.17397000
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  -2: X=0.35053000 Y=0.25000000 Z=0.46399000
          MULT= 4          ISPLIT= 8
      -2: X=0.64947000 Y=0.75000000 Z=0.53601000
      -2: X=0.85053000 Y=0.25000000 Z=0.03601000
      -2: X=0.14947000 Y=0.75000000 Z=0.96399000
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  -3: X=0.20795000 Y=0.25000000 Z=0.80816000
          MULT= 4          ISPLIT= 8
      -3: X=0.79205000 Y=0.75000000 Z=0.19184000
      -3: X=0.70795000 Y=0.25000000 Z=0.69184000
      -3: X=0.29205000 Y=0.75000000 Z=0.30816000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.04964000 Y=0.25000000 Z=0.12295000
          MULT= 4          ISPLIT= 8
      -4: X=0.95036000 Y=0.75000000 Z=0.87705000
      -4: X=0.54964000 Y=0.25000000 Z=0.37705000
      -4: X=0.45036000 Y=0.75000000 Z=0.62295000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.37508000 Y=0.25000000 Z=0.06139000
          MULT= 4          ISPLIT= 8
      -5: X=0.62492000 Y=0.75000000 Z=0.93861000
      -5: X=0.87508000 Y=0.25000000 Z=0.43861000
      -5: X=0.12492000 Y=0.75000000 Z=0.56139000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000