H   LATTICE,NONEQUIV.ATOMS   5  169 P61                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.471102 13.471102 36.624782 90.000000 90.000000120.000000                   
ATOM  -1: X=0.01170000 Y=0.31370000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -1: X=0.69800000 Y=0.01170000 Z=0.16666667
      -1: X=0.68630000 Y=0.69800000 Z=0.33333333
      -1: X=0.98830000 Y=0.68630000 Z=0.50000000
      -1: X=0.30200000 Y=0.98830000 Z=0.66666667
      -1: X=0.31370000 Y=0.30200000 Z=0.83333333
In         NPT=  781  R0=.000010000 RMT= 2.46        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=0.34170000 Y=0.01520000 Z=0.30489000
          MULT= 6          ISPLIT= 8
      -2: X=0.32650000 Y=0.34170000 Z=0.47155667
      -2: X=0.98480000 Y=0.32650000 Z=0.63822333
      -2: X=0.65830000 Y=0.98480000 Z=0.80489000
      -2: X=0.67350000 Y=0.65830000 Z=0.97155667
      -2: X=0.01520000 Y=0.67350000 Z=0.13822333
In         NPT=  781  R0=.000010000 RMT= 2.46        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  -3: X=0.07420000 Y=0.34700000 Z=0.14696000
          MULT= 6          ISPLIT= 8
      -3: X=0.72720000 Y=0.07420000 Z=0.31362667
      -3: X=0.65300000 Y=0.72720000 Z=0.48029333
      -3: X=0.92580000 Y=0.65300000 Z=0.64696000
      -3: X=0.27280000 Y=0.92580000 Z=0.81362667
      -3: X=0.34700000 Y=0.27280000 Z=0.98029333
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.34730000 Y=0.04360000 Z=0.16930000
          MULT= 6          ISPLIT= 8
      -4: X=0.30370000 Y=0.34730000 Z=0.33596667
      -4: X=0.95640000 Y=0.30370000 Z=0.50263333
      -4: X=0.65270000 Y=0.95640000 Z=0.66930000
      -4: X=0.69630000 Y=0.65270000 Z=0.83596667
      -4: X=0.04360000 Y=0.69630000 Z=0.00263333
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.36620000 Y=0.02500000 Z=0.51459000
          MULT= 6          ISPLIT= 8
      -5: X=0.34120000 Y=0.36620000 Z=0.68125667
      -5: X=0.97500000 Y=0.34120000 Z=0.84792333
      -5: X=0.63380000 Y=0.97500000 Z=0.01459000
      -5: X=0.65880000 Y=0.63380000 Z=0.18125667
      -5: X=0.02500000 Y=0.65880000 Z=0.34792333
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000