P   LATTICE,NONEQUIV.ATOMS   4  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 13.423670 13.423670  7.597833 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18200000 Y=0.68200000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.81800000 Y=0.31800000 Z=0.50000000
      -1: X=0.31800000 Y=0.18200000 Z=0.50000000
      -1: X=0.68200000 Y=0.81800000 Z=0.50000000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.30000000
          MULT= 4          ISPLIT=-2
      -2: X=0.00000000 Y=0.00000000 Z=0.70000000
      -2: X=0.50000000 Y=0.50000000 Z=0.30000000
      -2: X=0.50000000 Y=0.50000000 Z=0.70000000
B          NPT=  781  R0=.000100000 RMT= 1.51        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=0.58600000 Y=0.08600000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.41400000 Y=0.91400000 Z=0.00000000
      -3: X=0.91400000 Y=0.58600000 Z=0.00000000
      -3: X=0.08600000 Y=0.41400000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.51        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=0.08300000 Y=0.17300000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.91700000 Y=0.82700000 Z=0.00000000
      -4: X=0.82700000 Y=0.08300000 Z=0.00000000
      -4: X=0.17300000 Y=0.91700000 Z=0.00000000
      -4: X=0.41700000 Y=0.67300000 Z=0.00000000
      -4: X=0.58300000 Y=0.32700000 Z=0.00000000
      -4: X=0.32700000 Y=0.41700000 Z=0.00000000
      -4: X=0.67300000 Y=0.58300000 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.51        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000