CXZ LATTICE,NONEQUIV.ATOMS   6   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.441048 17.542328  6.466643 90.000000 90.000000 88.240000                   
ATOM  -1: X=0.28450000 Y=0.12510000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.71550000 Y=0.87490000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.41610000 Y=0.39880000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.58390000 Y=0.60120000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.91270000 Y=0.65090000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.08730000 Y=0.34910000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.75680000 Y=0.37720000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.24320000 Y=0.62280000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.64100000 Y=0.13730000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.35900000 Y=0.86270000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.46        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  -6: X=0.92530000 Y=0.18430000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.07470000 Y=0.81570000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.46        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000