B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.136020 21.136020 21.136020 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09068000 Y=0.09068000 Z=0.27800000
          MULT=12          ISPLIT= 8
      -1: X=0.09068000 Y=0.90932000 Z=0.72200000
      -1: X=0.27800000 Y=0.09068000 Z=0.09068000
      -1: X=0.90932000 Y=0.90932000 Z=0.27800000
      -1: X=0.09068000 Y=0.72200000 Z=0.90932000
      -1: X=0.90932000 Y=0.09068000 Z=0.72200000
      -1: X=0.72200000 Y=0.90932000 Z=0.09068000
      -1: X=0.90932000 Y=0.27800000 Z=0.90932000
      -1: X=0.27800000 Y=0.90932000 Z=0.90932000
      -1: X=0.90932000 Y=0.72200000 Z=0.09068000
      -1: X=0.72200000 Y=0.09068000 Z=0.90932000
      -1: X=0.09068000 Y=0.27800000 Z=0.09068000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -2: X=0.50000000 Y=0.75000000 Z=0.00000000
      -2: X=0.75000000 Y=0.50000000 Z=0.00000000
      -2: X=0.50000000 Y=0.25000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 Z=0.25000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.30613000 Y=0.30613000 Z=0.30613000
          MULT= 4          ISPLIT= 4
      -3: X=0.30613000 Y=0.69387000 Z=0.69387000
      -3: X=0.69387000 Y=0.69387000 Z=0.30613000
      -3: X=0.69387000 Y=0.30613000 Z=0.69387000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000