R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.181612  9.181612 30.382069 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.23        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=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Sn         NPT=  781  R0=.000010000 RMT= 2.08        Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23880000 Y=0.23880000 Z=0.23880000
          MULT= 2          ISPLIT= 4
      -3: X=0.76120000 Y=0.76120000 Z=0.76120000
B          NPT=  781  R0=.000100000 RMT= 1.18        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  -4: X=0.27283000 Y=0.50563000 Z=0.94733000
          MULT= 6          ISPLIT= 8
      -4: X=0.72717000 Y=0.49437000 Z=0.05267000
      -4: X=0.50563000 Y=0.94733000 Z=0.27283000
      -4: X=0.49437000 Y=0.05267000 Z=0.72717000
      -4: X=0.94733000 Y=0.27283000 Z=0.50563000
      -4: X=0.05267000 Y=0.72717000 Z=0.49437000
O          NPT=  781  R0=.000100000 RMT= 1.38        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000