H   LATTICE,NONEQUIV.ATOMS   9  156 P3m1                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.076192 14.076192 11.185289 90.000000 90.000000120.000000                   
ATOM  -1: X=0.17420000 Y=0.82580000 Z=0.19300000
          MULT= 3          ISPLIT= 8
      -1: X=0.17420000 Y=0.34840000 Z=0.19300000
      -1: X=0.65160000 Y=0.82580000 Z=0.19300000
Ag         NPT=  781  R0=.000010000 RMT= 2.37        Z:  47.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.50602000 Y=0.49398000 Z=0.72715000
          MULT= 3          ISPLIT= 8
      -2: X=0.50602000 Y=0.01204000 Z=0.72715000
      -2: X=0.98796000 Y=0.49398000 Z=0.72715000
Ag         NPT=  781  R0=.000010000 RMT= 2.37        Z:  47.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.66666667 Y=0.33333333 Z=0.23690000
          MULT= 1          ISPLIT= 4
Mo         NPT=  781  R0=.000010000 RMT= 1.73        Z:  42.00000              
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=0.68660000
          MULT= 1          ISPLIT= 4
Mo         NPT=  781  R0=.000010000 RMT= 1.73        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.49350000
          MULT= 1          ISPLIT= 4
Cl         NPT=  781  R0=.000100000 RMT= 2.28        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  -6: X=0.88360000 Y=0.11640000 Z=0.44290000
          MULT= 3          ISPLIT= 8
      -6: X=0.88360000 Y=0.76720000 Z=0.44290000
      -6: X=0.23280000 Y=0.11640000 Z=0.44290000
F          NPT=  781  R0=.000100000 RMT= 1.91        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.53950000 Y=0.46050000 Z=0.12520000
          MULT= 3          ISPLIT= 8
      -7: X=0.53950000 Y=0.07900000 Z=0.12520000
      -7: X=0.92100000 Y=0.46050000 Z=0.12520000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.12300000 Y=0.87700000 Z=0.81330000
          MULT= 3          ISPLIT= 8
      -8: X=0.12300000 Y=0.24600000 Z=0.81330000
      -8: X=0.75400000 Y=0.87700000 Z=0.81330000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -9: X=0.66666667 Y=0.33333333 Z=0.53890000
          MULT= 1          ISPLIT= 4
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000