R   LATTICE,NONEQUIV.ATOMS   7  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
  7.275446  7.275446 69.957663 90.000000 90.000000120.000000                   
ATOM  -1: X=0.16650000 Y=0.16650000 Z=0.16650000
          MULT= 1          ISPLIT= 4
In         NPT=  781  R0=.000010000 RMT= 2.45        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.93670000 Y=0.93670000 Z=0.93670000
          MULT= 1          ISPLIT= 4
In         NPT=  781  R0=.000010000 RMT= 2.45        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.39590000 Y=0.39590000 Z=0.39590000
          MULT= 1          ISPLIT= 4
Zn         NPT=  781  R0=.000050000 RMT= 2.44        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=0.04080000 Y=0.04080000 Z=0.04080000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.29260000 Y=0.29260000 Z=0.29260000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.46260000 Y=0.46260000 Z=0.46260000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.87030000 Y=0.87030000 Z=0.87030000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 2.00        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000