R   LATTICE,NONEQUIV.ATOMS   7  160 R3m                                        
MODE OF CALC=RELA unit=bohr                                                    
  6.863486  6.863486 68.483674 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 2.19        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23400000 Y=0.23400000 Z=0.23400000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 2.19        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.76300000 Y=0.76300000 Z=0.76300000
          MULT= 1          ISPLIT= 4
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=0.12300000 Y=0.12300000 Z=0.12300000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.87        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=0.87600000 Y=0.87600000 Z=0.87600000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.87        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=0.70200000 Y=0.70200000 Z=0.70200000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.87        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=0.29800000 Y=0.29800000 Z=0.29800000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.87        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000