H   LATTICE,NONEQUIV.ATOMS   7  150 P321                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.786437 16.786437  9.114149 90.000000 90.000000120.000000                   
ATOM  -1: X=0.62940000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.62940000 Z=0.00000000
      -1: X=0.37060000 Y=0.37060000 Z=0.00000000
In         NPT=  781  R0=.000010000 RMT= 2.05        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.29320000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.29320000 Z=0.50000000
      -2: X=0.70680000 Y=0.70680000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.05        Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Te         NPT=  781  R0=.000010000 RMT= 1.91        Z:  52.00000              
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=0.49970000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.50030000
Te         NPT=  781  R0=.000010000 RMT= 1.91        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.20720000 Y=0.11850000 Z=0.21590000
          MULT= 6          ISPLIT= 8
      -5: X=0.88150000 Y=0.08870000 Z=0.21590000
      -5: X=0.11850000 Y=0.20720000 Z=0.78410000
      -5: X=0.91130000 Y=0.79280000 Z=0.21590000
      -5: X=0.79280000 Y=0.91130000 Z=0.78410000
      -5: X=0.08870000 Y=0.88150000 Z=0.78410000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.53960000 Y=0.12690000 Z=0.23640000
          MULT= 6          ISPLIT= 8
      -6: X=0.87310000 Y=0.41270000 Z=0.23640000
      -6: X=0.12690000 Y=0.53960000 Z=0.76360000
      -6: X=0.58730000 Y=0.46040000 Z=0.23640000
      -6: X=0.46040000 Y=0.58730000 Z=0.76360000
      -6: X=0.41270000 Y=0.87310000 Z=0.76360000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.23940000 Y=0.46260000 Z=0.27980000
          MULT= 6          ISPLIT= 8
      -7: X=0.53740000 Y=0.77680000 Z=0.27980000
      -7: X=0.46260000 Y=0.23940000 Z=0.72020000
      -7: X=0.22320000 Y=0.76060000 Z=0.27980000
      -7: X=0.76060000 Y=0.22320000 Z=0.72020000
      -7: X=0.77680000 Y=0.53740000 Z=0.72020000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000