R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.368928 10.368928 28.887298 90.000000 90.000000120.000000                   
ATOM  -1: X=0.13300000 Y=0.13300000 Z=0.13300000
          MULT= 2          ISPLIT= 4
      -1: X=0.86700000 Y=0.86700000 Z=0.86700000
Ca         NPT=  781  R0=.000050000 RMT= 2.15        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=0.34470000 Y=0.34470000 Z=0.34470000
          MULT= 2          ISPLIT= 4
      -2: X=0.65530000 Y=0.65530000 Z=0.65530000
Sn         NPT=  781  R0=.000010000 RMT= 2.03        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=0.46000000 Y=0.70000000 Z=0.05300000
          MULT= 6          ISPLIT= 8
      -3: X=0.54000000 Y=0.30000000 Z=0.94700000
      -3: X=0.70000000 Y=0.05300000 Z=0.46000000
      -3: X=0.30000000 Y=0.94700000 Z=0.54000000
      -3: X=0.05300000 Y=0.46000000 Z=0.70000000
      -3: X=0.94700000 Y=0.54000000 Z=0.30000000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000