B   LATTICE,NONEQUIV.ATOMS   3  199 I213                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.050200 16.050200 16.050200 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01693000 Y=0.01693000 Z=0.01693000
          MULT= 4          ISPLIT= 4
      -1: X=0.98307000 Y=0.48307000 Z=0.01693000
      -1: X=0.01693000 Y=0.98307000 Z=0.48307000
      -1: X=0.98307000 Y=0.51693000 Z=0.48307000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.29189000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.70811000 Y=0.50000000 Z=0.25000000
      -2: X=0.25000000 Y=0.29189000 Z=0.00000000
      -2: X=0.75000000 Y=0.20811000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.29189000
      -2: X=0.00000000 Y=0.75000000 Z=0.20811000
Pt         NPT=  781  R0=.000005000 RMT= 2.39        Z:  78.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.28380000 Y=0.28380000 Z=0.28380000
          MULT= 4          ISPLIT= 4
      -3: X=0.71620000 Y=0.21620000 Z=0.28380000
      -3: X=0.28380000 Y=0.71620000 Z=0.21620000
      -3: X=0.71620000 Y=0.78380000 Z=0.21620000
Se         NPT=  781  R0=.000050000 RMT= 2.17        Z:  34.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503