P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.547748 18.450152 12.154907 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.47771000 Y=0.25000000 Z=0.70466000
          MULT= 4          ISPLIT= 8
      -1: X=0.52229000 Y=0.75000000 Z=0.29534000
      -1: X=0.97771000 Y=0.25000000 Z=0.79534000
      -1: X=0.02229000 Y=0.75000000 Z=0.20466000
S          NPT=  781  R0=.000100000 RMT= 2.03        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  -2: X=0.17079000 Y=0.25000000 Z=0.82048000
          MULT= 4          ISPLIT= 8
      -2: X=0.82921000 Y=0.75000000 Z=0.17952000
      -2: X=0.67079000 Y=0.25000000 Z=0.67952000
      -2: X=0.32921000 Y=0.75000000 Z=0.32048000
P          NPT=  781  R0=.000100000 RMT= 1.93        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  -3: X=0.41984000 Y=0.25000000 Z=0.39226000
          MULT= 4          ISPLIT= 8
      -3: X=0.58016000 Y=0.75000000 Z=0.60774000
      -3: X=0.91984000 Y=0.25000000 Z=0.10774000
      -3: X=0.08016000 Y=0.75000000 Z=0.89226000
P          NPT=  781  R0=.000100000 RMT= 1.93        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  -4: X=0.19302000 Y=0.08524000 Z=0.02926000
          MULT= 8          ISPLIT= 8
      -4: X=0.80698000 Y=0.91476000 Z=0.97074000
      -4: X=0.69302000 Y=0.08524000 Z=0.47074000
      -4: X=0.30698000 Y=0.91476000 Z=0.52926000
      -4: X=0.30698000 Y=0.58524000 Z=0.52926000
      -4: X=0.69302000 Y=0.41476000 Z=0.47074000
      -4: X=0.80698000 Y=0.58524000 Z=0.97074000
      -4: X=0.19302000 Y=0.41476000 Z=0.02926000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.06963000 Y=0.13486000 Z=0.27003000
          MULT= 8          ISPLIT= 8
      -5: X=0.93037000 Y=0.86514000 Z=0.72997000
      -5: X=0.56963000 Y=0.13486000 Z=0.22997000
      -5: X=0.43037000 Y=0.86514000 Z=0.77003000
      -5: X=0.43037000 Y=0.63486000 Z=0.77003000
      -5: X=0.56963000 Y=0.36514000 Z=0.22997000
      -5: X=0.93037000 Y=0.63486000 Z=0.72997000
      -5: X=0.06963000 Y=0.36514000 Z=0.27003000
P          NPT=  781  R0=.000100000 RMT= 1.93        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000