P   LATTICE,NONEQUIV.ATOMS   5  134 P42/nnm                                    
MODE OF CALC=RELA unit=bohr                                                    
 16.535104 16.535104  9.562014 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07540000 Y=0.16210000 Z=0.14950000
          MULT=16          ISPLIT= 8
      -1: X=0.92460000 Y=0.83790000 Z=0.85050000
      -1: X=0.33790000 Y=0.07540000 Z=0.64950000
      -1: X=0.66210000 Y=0.92460000 Z=0.35050000
      -1: X=0.92460000 Y=0.66210000 Z=0.64950000
      -1: X=0.07540000 Y=0.33790000 Z=0.35050000
      -1: X=0.42460000 Y=0.33790000 Z=0.14950000
      -1: X=0.57540000 Y=0.66210000 Z=0.85050000
      -1: X=0.83790000 Y=0.92460000 Z=0.14950000
      -1: X=0.16210000 Y=0.07540000 Z=0.85050000
      -1: X=0.16210000 Y=0.42460000 Z=0.64950000
      -1: X=0.83790000 Y=0.57540000 Z=0.35050000
      -1: X=0.57540000 Y=0.83790000 Z=0.64950000
      -1: X=0.42460000 Y=0.16210000 Z=0.35050000
      -1: X=0.66210000 Y=0.57540000 Z=0.14950000
      -1: X=0.33790000 Y=0.42460000 Z=0.85050000
B          NPT=  781  R0=.000100000 RMT= 1.58        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33150000 Y=0.52320000 Z=0.16200000
          MULT=16          ISPLIT= 8
      -2: X=0.66850000 Y=0.47680000 Z=0.83800000
      -2: X=0.97680000 Y=0.33150000 Z=0.66200000
      -2: X=0.02320000 Y=0.66850000 Z=0.33800000
      -2: X=0.66850000 Y=0.02320000 Z=0.66200000
      -2: X=0.33150000 Y=0.97680000 Z=0.33800000
      -2: X=0.16850000 Y=0.97680000 Z=0.16200000
      -2: X=0.83150000 Y=0.02320000 Z=0.83800000
      -2: X=0.47680000 Y=0.66850000 Z=0.16200000
      -2: X=0.52320000 Y=0.33150000 Z=0.83800000
      -2: X=0.52320000 Y=0.16850000 Z=0.66200000
      -2: X=0.47680000 Y=0.83150000 Z=0.33800000
      -2: X=0.83150000 Y=0.47680000 Z=0.66200000
      -2: X=0.16850000 Y=0.52320000 Z=0.33800000
      -2: X=0.02320000 Y=0.83150000 Z=0.16200000
      -2: X=0.97680000 Y=0.16850000 Z=0.83800000
B          NPT=  781  R0=.000100000 RMT= 1.58        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.62800000 Y=0.37200000 Z=0.13250000
          MULT= 8          ISPLIT= 8
      -3: X=0.37200000 Y=0.62800000 Z=0.86750000
      -3: X=0.12800000 Y=0.62800000 Z=0.63250000
      -3: X=0.87200000 Y=0.37200000 Z=0.36750000
      -3: X=0.37200000 Y=0.87200000 Z=0.63250000
      -3: X=0.62800000 Y=0.12800000 Z=0.36750000
      -3: X=0.87200000 Y=0.12800000 Z=0.13250000
      -3: X=0.12800000 Y=0.87200000 Z=0.86750000
B          NPT=  781  R0=.000100000 RMT= 1.58        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.50400000 Y=0.49600000 Z=0.33400000
          MULT= 8          ISPLIT= 8
      -4: X=0.49600000 Y=0.50400000 Z=0.66600000
      -4: X=0.00400000 Y=0.50400000 Z=0.83400000
      -4: X=0.99600000 Y=0.49600000 Z=0.16600000
      -4: X=0.49600000 Y=0.99600000 Z=0.83400000
      -4: X=0.50400000 Y=0.00400000 Z=0.16600000
      -4: X=0.99600000 Y=0.00400000 Z=0.33400000
      -4: X=0.00400000 Y=0.99600000 Z=0.66600000
B          NPT=  781  R0=.000100000 RMT= 1.58        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.25000000 Y=0.75000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.25000000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.58        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000