B   LATTICE,NONEQUIV.ATOMS   4  120 I-4c2                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.194618 17.194618 25.813659 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04337000 Y=0.15116000 Z=0.07397000
          MULT= 8          ISPLIT= 8
      -1: X=0.15116000 Y=0.95663000 Z=0.92603000
      -1: X=0.95663000 Y=0.15116000 Z=0.57397000
      -1: X=0.95663000 Y=0.84884000 Z=0.07397000
      -1: X=0.15116000 Y=0.04337000 Z=0.42603000
      -1: X=0.84884000 Y=0.04337000 Z=0.92603000
      -1: X=0.04337000 Y=0.84884000 Z=0.57397000
      -1: X=0.84884000 Y=0.95663000 Z=0.42603000
P          NPT=  781  R0=.000100000 RMT= 1.44        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08930000 Y=0.31236000 Z=0.15261000
          MULT= 8          ISPLIT= 8
      -2: X=0.31236000 Y=0.91070000 Z=0.84739000
      -2: X=0.91070000 Y=0.31236000 Z=0.65261000
      -2: X=0.91070000 Y=0.68764000 Z=0.15261000
      -2: X=0.31236000 Y=0.08930000 Z=0.34739000
      -2: X=0.68764000 Y=0.08930000 Z=0.84739000
      -2: X=0.08930000 Y=0.68764000 Z=0.65261000
      -2: X=0.68764000 Y=0.91070000 Z=0.34739000
S          NPT=  781  R0=.000100000 RMT= 1.80        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  -3: X=0.17000000 Y=0.09270000 Z=0.00090000
          MULT= 8          ISPLIT= 8
      -3: X=0.09270000 Y=0.83000000 Z=0.99910000
      -3: X=0.83000000 Y=0.09270000 Z=0.50090000
      -3: X=0.83000000 Y=0.90730000 Z=0.00090000
      -3: X=0.09270000 Y=0.17000000 Z=0.49910000
      -3: X=0.90730000 Y=0.17000000 Z=0.99910000
      -3: X=0.17000000 Y=0.90730000 Z=0.50090000
      -3: X=0.90730000 Y=0.83000000 Z=0.49910000
O          NPT=  781  R0=.000100000 RMT= 1.59        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  -4: X=0.00000000 Y=0.00000000 Z=0.13030000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.00000000 Z=0.86970000
      -4: X=0.00000000 Y=0.00000000 Z=0.63030000
      -4: X=0.00000000 Y=0.00000000 Z=0.36970000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000