P   LATTICE,NONEQUIV.ATOMS   3  131 P42/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 10.919971 10.919971 10.580388 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.33        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.24200000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.75800000 Y=0.00000000 Z=0.00000000
      -2: X=0.00000000 Y=0.24200000 Z=0.50000000
      -2: X=0.00000000 Y=0.75800000 Z=0.50000000
Pt         NPT=  781  R0=.000005000 RMT= 2.16        Z:  78.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.26800000 Y=0.26800000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.73200000 Y=0.73200000 Z=0.75000000
      -3: X=0.73200000 Y=0.26800000 Z=0.75000000
      -3: X=0.26800000 Y=0.73200000 Z=0.25000000
      -3: X=0.73200000 Y=0.26800000 Z=0.25000000
      -3: X=0.26800000 Y=0.73200000 Z=0.75000000
      -3: X=0.73200000 Y=0.73200000 Z=0.25000000
      -3: X=0.26800000 Y=0.26800000 Z=0.75000000
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