B   LATTICE,NONEQUIV.ATOMS   4  122 I-42d                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.261223 19.261223 23.088107 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.02113000 Y=0.26261000 Z=0.29471000
          MULT= 8          ISPLIT= 8
      -1: X=0.26261000 Y=0.97887000 Z=0.70529000
      -1: X=0.02113000 Y=0.23739000 Z=0.95529000
      -1: X=0.97887000 Y=0.73739000 Z=0.29471000
      -1: X=0.73739000 Y=0.47887000 Z=0.54471000
      -1: X=0.73739000 Y=0.02113000 Z=0.70529000
      -1: X=0.97887000 Y=0.76261000 Z=0.95529000
      -1: X=0.26261000 Y=0.52113000 Z=0.54471000
Se         NPT=  781  R0=.000050000 RMT= 2.21        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  -2: X=0.14096000 Y=0.11720000 Z=0.40646000
          MULT= 8          ISPLIT= 8
      -2: X=0.11720000 Y=0.85904000 Z=0.59354000
      -2: X=0.14096000 Y=0.38280000 Z=0.84354000
      -2: X=0.85904000 Y=0.88280000 Z=0.40646000
      -2: X=0.88280000 Y=0.35904000 Z=0.65646000
      -2: X=0.88280000 Y=0.14096000 Z=0.59354000
      -2: X=0.85904000 Y=0.61720000 Z=0.84354000
      -2: X=0.11720000 Y=0.64096000 Z=0.65646000
Se         NPT=  781  R0=.000050000 RMT= 2.21        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  -3: X=0.00000000 Y=0.00000000 Z=0.18250000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.81750000
      -3: X=0.00000000 Y=0.50000000 Z=0.06750000
      -3: X=0.00000000 Y=0.50000000 Z=0.43250000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.26040000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -4: X=0.25000000 Y=0.73960000 Z=0.87500000
      -4: X=0.73960000 Y=0.75000000 Z=0.12500000
      -4: X=0.75000000 Y=0.26040000 Z=0.87500000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000