CXZ LATTICE,NONEQUIV.ATOMS 4 12 B2/m MODE OF CALC=RELA unit=bohr 14.335462 33.525631 8.277000 90.000000 90.000000 81.800000 ATOM -1: X=0.81630000 Y=0.55110000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.18370000 Y=0.44890000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.94260000 Y=0.17260000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.05740000 Y=0.82740000 Z=0.00000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.30840000 Y=0.07510000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.69160000 Y=0.92490000 Z=0.00000000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.56660000 Y=0.30030000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.43340000 Y=0.69970000 Z=0.00000000 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000