CXZ LATTICE,NONEQUIV.ATOMS   7   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.753987 27.946215  9.984368 90.000000 90.000000 61.990000                   
ATOM  -1: X=0.75200000 Y=0.25180000 Z=0.40670000
          MULT= 4          ISPLIT= 8
      -1: X=0.24800000 Y=0.74820000 Z=0.59330000
      -1: X=0.24800000 Y=0.24820000 Z=0.40670000
      -1: X=0.75200000 Y=0.75180000 Z=0.59330000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.84010000 Y=0.04530000 Z=0.15680000
          MULT= 4          ISPLIT= 8
      -2: X=0.15990000 Y=0.95470000 Z=0.84320000
      -2: X=0.15990000 Y=0.45470000 Z=0.15680000
      -2: X=0.84010000 Y=0.54530000 Z=0.84320000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.43640000 Y=0.09490000 Z=0.16280000
          MULT= 4          ISPLIT= 8
      -3: X=0.56360000 Y=0.90510000 Z=0.83720000
      -3: X=0.56360000 Y=0.40510000 Z=0.16280000
      -3: X=0.43640000 Y=0.59490000 Z=0.83720000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.96420000 Y=0.17400000 Z=0.14600000
          MULT= 4          ISPLIT= 8
      -4: X=0.03580000 Y=0.82600000 Z=0.85400000
      -4: X=0.03580000 Y=0.32600000 Z=0.14600000
      -4: X=0.96420000 Y=0.67400000 Z=0.85400000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.78890000 Y=0.39690000 Z=0.14750000
          MULT= 4          ISPLIT= 8
      -5: X=0.21110000 Y=0.60310000 Z=0.85250000
      -5: X=0.21110000 Y=0.10310000 Z=0.14750000
      -5: X=0.78890000 Y=0.89690000 Z=0.85250000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.60630000 Y=0.18270000 Z=0.17980000
          MULT= 4          ISPLIT= 8
      -6: X=0.39370000 Y=0.81730000 Z=0.82020000
      -6: X=0.39370000 Y=0.31730000 Z=0.17980000
      -6: X=0.60630000 Y=0.68270000 Z=0.82020000
Ta         NPT=  781  R0=.000005000 RMT= 2.48        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.89200000 Y=0.45630000 Z=0.41890000
          MULT= 4          ISPLIT= 8
      -7: X=0.10800000 Y=0.54370000 Z=0.58110000
      -7: X=0.10800000 Y=0.04370000 Z=0.41890000
      -7: X=0.89200000 Y=0.95630000 Z=0.58110000
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000