P   LATTICE,NONEQUIV.ATOMS   4  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
  9.119818  9.119818 18.366248 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Mg         NPT=  781  R0=.000100000 RMT= 1.95        Z:  12.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.33200000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.00000000 Z=0.66800000
      -2: X=0.50000000 Y=0.50000000 Z=0.83200000
      -2: X=0.50000000 Y=0.50000000 Z=0.16800000
Bi         NPT=  781  R0=.000005000 RMT= 2.16        Z:  83.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.30500000 Y=0.30500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.69500000 Y=0.69500000 Z=0.00000000
      -3: X=0.19500000 Y=0.80500000 Z=0.50000000
      -3: X=0.80500000 Y=0.19500000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.30700000 Y=0.30700000 Z=0.33500000
          MULT= 8          ISPLIT= 8
      -4: X=0.69300000 Y=0.69300000 Z=0.66500000
      -4: X=0.19300000 Y=0.80700000 Z=0.83500000
      -4: X=0.80700000 Y=0.19300000 Z=0.16500000
      -4: X=0.69300000 Y=0.69300000 Z=0.33500000
      -4: X=0.30700000 Y=0.30700000 Z=0.66500000
      -4: X=0.80700000 Y=0.19300000 Z=0.83500000
      -4: X=0.19300000 Y=0.80700000 Z=0.16500000
O          NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000