B   LATTICE,NONEQUIV.ATOMS   4  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.107561 14.107561 23.135917 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15640000 Y=0.65640000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.84360000 Y=0.34360000 Z=0.00000000
      -2: X=0.34360000 Y=0.15640000 Z=0.00000000
      -2: X=0.65640000 Y=0.84360000 Z=0.00000000
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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.33        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.65690000 Y=0.15690000 Z=0.14900000
          MULT= 8          ISPLIT= 8
      -4: X=0.34310000 Y=0.84310000 Z=0.85100000
      -4: X=0.84310000 Y=0.65690000 Z=0.14900000
      -4: X=0.15690000 Y=0.34310000 Z=0.85100000
      -4: X=0.34310000 Y=0.84310000 Z=0.14900000
      -4: X=0.65690000 Y=0.15690000 Z=0.85100000
      -4: X=0.15690000 Y=0.34310000 Z=0.14900000
      -4: X=0.84310000 Y=0.65690000 Z=0.85100000
Cl         NPT=  781  R0=.000100000 RMT= 2.33        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000