B   LATTICE,NONEQUIV.ATOMS   5  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 17.465038 17.465038 27.387423 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16576000 Y=0.66576000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.83424000 Y=0.33424000 Z=0.00000000
      -1: X=0.33424000 Y=0.16576000 Z=0.00000000
      -1: X=0.66576000 Y=0.83424000 Z=0.00000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.28        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 1.96        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  -5: X=0.63920000 Y=0.13920000 Z=0.15767000
          MULT= 8          ISPLIT= 8
      -5: X=0.36080000 Y=0.86080000 Z=0.84233000
      -5: X=0.86080000 Y=0.63920000 Z=0.15767000
      -5: X=0.13920000 Y=0.36080000 Z=0.84233000
      -5: X=0.36080000 Y=0.86080000 Z=0.15767000
      -5: X=0.63920000 Y=0.13920000 Z=0.84233000
      -5: X=0.13920000 Y=0.36080000 Z=0.15767000
      -5: X=0.86080000 Y=0.63920000 Z=0.84233000
Cl         NPT=  781  R0=.000100000 RMT= 1.96        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000