B   LATTICE,NONEQUIV.ATOMS   3  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.073341 18.073341 18.073341 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.37670000 Y=0.37670000 Z=0.10350000
          MULT=12          ISPLIT= 8
      -1: X=0.37670000 Y=0.62330000 Z=0.89650000
      -1: X=0.10350000 Y=0.37670000 Z=0.37670000
      -1: X=0.62330000 Y=0.62330000 Z=0.10350000
      -1: X=0.37670000 Y=0.89650000 Z=0.62330000
      -1: X=0.62330000 Y=0.37670000 Z=0.89650000
      -1: X=0.89650000 Y=0.62330000 Z=0.37670000
      -1: X=0.62330000 Y=0.10350000 Z=0.62330000
      -1: X=0.10350000 Y=0.62330000 Z=0.62330000
      -1: X=0.62330000 Y=0.89650000 Z=0.37670000
      -1: X=0.89650000 Y=0.37670000 Z=0.62330000
      -1: X=0.37670000 Y=0.10350000 Z=0.37670000
Na         NPT=  781  R0=.000100000 RMT= 2.21        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.14580000 Y=0.14580000 Z=0.14580000
          MULT= 4          ISPLIT= 4
      -2: X=0.14580000 Y=0.85420000 Z=0.85420000
      -2: X=0.85420000 Y=0.85420000 Z=0.14580000
      -2: X=0.85420000 Y=0.14580000 Z=0.85420000
Sb         NPT=  781  R0=.000010000 RMT= 1.91        Z:  51.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.13460000 Y=0.13460000 Z=0.34310000
          MULT=12          ISPLIT= 8
      -3: X=0.13460000 Y=0.86540000 Z=0.65690000
      -3: X=0.34310000 Y=0.13460000 Z=0.13460000
      -3: X=0.86540000 Y=0.86540000 Z=0.34310000
      -3: X=0.13460000 Y=0.65690000 Z=0.86540000
      -3: X=0.86540000 Y=0.13460000 Z=0.65690000
      -3: X=0.65690000 Y=0.86540000 Z=0.13460000
      -3: X=0.86540000 Y=0.34310000 Z=0.86540000
      -3: X=0.34310000 Y=0.86540000 Z=0.86540000
      -3: X=0.86540000 Y=0.65690000 Z=0.13460000
      -3: X=0.65690000 Y=0.13460000 Z=0.86540000
      -3: X=0.13460000 Y=0.34310000 Z=0.13460000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000