P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.668939 15.004426 27.760077 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11330000 Y=0.25000000 Z=0.14770000
          MULT= 4          ISPLIT= 8
      -1: X=0.88670000 Y=0.75000000 Z=0.85230000
      -1: X=0.61330000 Y=0.25000000 Z=0.35230000
      -1: X=0.38670000 Y=0.75000000 Z=0.64770000
P          NPT=  781  R0=.000100000 RMT= 1.82        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.23520000 Y=0.03110000 Z=0.10850000
          MULT= 8          ISPLIT= 8
      -2: X=0.76480000 Y=0.96890000 Z=0.89150000
      -2: X=0.73520000 Y=0.03110000 Z=0.39150000
      -2: X=0.26480000 Y=0.96890000 Z=0.60850000
      -2: X=0.26480000 Y=0.53110000 Z=0.60850000
      -2: X=0.73520000 Y=0.46890000 Z=0.39150000
      -2: X=0.76480000 Y=0.53110000 Z=0.89150000
      -2: X=0.23520000 Y=0.46890000 Z=0.10850000
Br         NPT=  781  R0=.000050000 RMT= 2.23        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07610000 Y=0.25000000 Z=0.29340000
          MULT= 4          ISPLIT= 8
      -3: X=0.92390000 Y=0.75000000 Z=0.70660000
      -3: X=0.57610000 Y=0.25000000 Z=0.20660000
      -3: X=0.42390000 Y=0.75000000 Z=0.79340000
Br         NPT=  781  R0=.000050000 RMT= 2.23        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.40840000 Y=0.25000000 Z=0.42270000
          MULT= 4          ISPLIT= 8
      -4: X=0.59160000 Y=0.75000000 Z=0.57730000
      -4: X=0.90840000 Y=0.25000000 Z=0.07730000
      -4: X=0.09160000 Y=0.75000000 Z=0.92270000
Br         NPT=  781  R0=.000050000 RMT= 2.23        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.31820000 Y=0.25000000 Z=0.87780000
          MULT= 4          ISPLIT= 8
      -5: X=0.68180000 Y=0.75000000 Z=0.12220000
      -5: X=0.81820000 Y=0.25000000 Z=0.62220000
      -5: X=0.18180000 Y=0.75000000 Z=0.37780000
Br         NPT=  781  R0=.000050000 RMT= 2.23        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.08040000 Y=0.25000000 Z=0.51520000
          MULT= 4          ISPLIT= 8
      -6: X=0.91960000 Y=0.75000000 Z=0.48480000
      -6: X=0.58040000 Y=0.25000000 Z=0.98480000
      -6: X=0.41960000 Y=0.75000000 Z=0.01520000
Br         NPT=  781  R0=.000050000 RMT= 2.23        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.09690000 Y=0.25000000 Z=0.79660000
          MULT= 4          ISPLIT= 8
      -7: X=0.90310000 Y=0.75000000 Z=0.20340000
      -7: X=0.59690000 Y=0.25000000 Z=0.70340000
      -7: X=0.40310000 Y=0.75000000 Z=0.29660000
Br         NPT=  781  R0=.000050000 RMT= 2.23        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000