CXZ LATTICE,NONEQUIV.ATOMS 6 12 B2/m MODE OF CALC=RELA unit=bohr 26.818237 12.759431 10.922617 90.000000 90.000000 62.744000 ATOM -1: X=0.63100000 Y=0.14150000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.36900000 Y=0.85850000 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=0.90020000 Y=0.40350000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.09980000 Y=0.59650000 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=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.00000000 Z=0.75000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.59180000 Y=0.58440000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.40820000 Y=0.41560000 Z=0.00000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.86940000 Y=0.85120000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.13060000 Y=0.14880000 Z=0.00000000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.77400000 Y=0.26460000 Z=0.25190000 MULT= 4 ISPLIT= 8 -6: X=0.22600000 Y=0.73540000 Z=0.74810000 -6: X=0.22600000 Y=0.73540000 Z=0.25190000 -6: X=0.77400000 Y=0.26460000 Z=0.74810000 Pd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000