H   LATTICE,NONEQUIV.ATOMS   7  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.162519 22.162519 13.359986 90.000000 90.000000120.000000                   
ATOM  -1: X=0.10640000 Y=0.89360000 Z=0.28923000
          MULT= 6          ISPLIT= 8
      -1: X=0.89360000 Y=0.10640000 Z=0.71077000
      -1: X=0.10640000 Y=0.21280000 Z=0.28923000
      -1: X=0.89360000 Y=0.78720000 Z=0.71077000
      -1: X=0.78720000 Y=0.89360000 Z=0.28923000
      -1: X=0.21280000 Y=0.10640000 Z=0.71077000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.44111000 Y=0.55889000 Z=0.20925000
          MULT= 6          ISPLIT= 8
      -2: X=0.55889000 Y=0.44111000 Z=0.79075000
      -2: X=0.44111000 Y=0.88222000 Z=0.20925000
      -2: X=0.55889000 Y=0.11778000 Z=0.79075000
      -2: X=0.11778000 Y=0.55889000 Z=0.20925000
      -2: X=0.88222000 Y=0.44111000 Z=0.79075000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.77511000 Y=0.22489000 Z=0.24421000
          MULT= 6          ISPLIT= 8
      -3: X=0.22489000 Y=0.77511000 Z=0.75579000
      -3: X=0.77511000 Y=0.55022000 Z=0.24421000
      -3: X=0.22489000 Y=0.44978000 Z=0.75579000
      -3: X=0.44978000 Y=0.22489000 Z=0.24421000
      -3: X=0.55022000 Y=0.77511000 Z=0.75579000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
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=0.48876000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.51124000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.29940000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -6: X=0.70060000 Y=0.00000000 Z=0.00000000
      -6: X=0.00000000 Y=0.29940000 Z=0.00000000
      -6: X=0.00000000 Y=0.70060000 Z=0.00000000
      -6: X=0.70060000 Y=0.70060000 Z=0.00000000
      -6: X=0.29940000 Y=0.29940000 Z=0.00000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.36084000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT= 8
      -7: X=0.63916000 Y=0.00000000 Z=0.50000000
      -7: X=0.00000000 Y=0.36084000 Z=0.50000000
      -7: X=0.00000000 Y=0.63916000 Z=0.50000000
      -7: X=0.63916000 Y=0.63916000 Z=0.50000000
      -7: X=0.36084000 Y=0.36084000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000