H   LATTICE,NONEQUIV.ATOMS  11  156 P3m1                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.313240  7.313240 35.715824 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.05100000
          MULT= 1          ISPLIT= 4
In         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.00000000 Y=0.00000000 Z=0.21950000
          MULT= 1          ISPLIT= 4
Zn         NPT=  781  R0=.000050000 RMT= 2.40        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  -3: X=0.66666667 Y=0.33333333 Z=0.41680000
          MULT= 1          ISPLIT= 4
In         NPT=  781  R0=.000010000 RMT= 2.50000     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  -4: X=0.33333333 Y=0.66666667 Z=0.61950000
          MULT= 1          ISPLIT= 4
Zn         NPT=  781  R0=.000050000 RMT= 2.40        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  -5: X=0.00000000 Y=0.00000000 Z=0.79640000
          MULT= 1          ISPLIT= 4
Zn         NPT=  781  R0=.000050000 RMT= 2.40        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  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.97        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=0.33333333 Y=0.66666667 Z=0.18220000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.97        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  -8: X=0.00000000 Y=0.00000000 Z=0.34260000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.97        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  -9: X=0.33333333 Y=0.66666667 Z=0.49420000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.97        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 -10: X=0.00000000 Y=0.00000000 Z=0.66600000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.97        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 -11: X=0.33333333 Y=0.66666667 Z=0.83620000
          MULT= 1          ISPLIT= 4
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000