H   LATTICE,NONEQUIV.ATOMS   7  150 P321                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.517340 16.517340  9.067851 90.000000 90.000000120.000000                   
ATOM  -1: X=0.62986000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.62986000 Z=0.00000000
      -1: X=0.37014000 Y=0.37014000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.06        Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.29420000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.29420000 Z=0.50000000
      -2: X=0.70580000 Y=0.70580000 Z=0.50000000
Sc         NPT=  781  R0=.000050000 RMT= 2.06        Z:  21.00000              
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= 1.92        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=0.49877000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.50123000
Te         NPT=  781  R0=.000010000 RMT= 1.92        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=0.12510000 Y=0.20930000 Z=0.21640000
          MULT= 6          ISPLIT= 8
      -5: X=0.79070000 Y=0.91580000 Z=0.21640000
      -5: X=0.20930000 Y=0.12510000 Z=0.78360000
      -5: X=0.08420000 Y=0.87490000 Z=0.21640000
      -5: X=0.87490000 Y=0.08420000 Z=0.78360000
      -5: X=0.91580000 Y=0.79070000 Z=0.78360000
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=0.12390000 Y=0.54250000 Z=0.27650000
          MULT= 6          ISPLIT= 8
      -6: X=0.45750000 Y=0.58140000 Z=0.27650000
      -6: X=0.54250000 Y=0.12390000 Z=0.72350000
      -6: X=0.41860000 Y=0.87610000 Z=0.27650000
      -6: X=0.87610000 Y=0.41860000 Z=0.72350000
      -6: X=0.58140000 Y=0.45750000 Z=0.72350000
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=0.45740000 Y=0.23820000 Z=0.27810000
          MULT= 6          ISPLIT= 8
      -7: X=0.76180000 Y=0.21920000 Z=0.27810000
      -7: X=0.23820000 Y=0.45740000 Z=0.72190000
      -7: X=0.78080000 Y=0.54260000 Z=0.27810000
      -7: X=0.54260000 Y=0.78080000 Z=0.72190000
      -7: X=0.21920000 Y=0.76180000 Z=0.72190000
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