CXZ LATTICE,NONEQUIV.ATOMS 4 15 B2/b MODE OF CALC=RELA unit=bohr 24.091741 10.525397 9.220730 90.000000 90.000000 75.610000 ATOM -1: X=0.85930000 Y=0.25180000 Z=0.24300000 MULT= 4 ISPLIT= 8 -1: X=0.14070000 Y=0.74820000 Z=0.75700000 -1: X=0.14070000 Y=0.24820000 Z=0.24300000 -1: X=0.85930000 Y=0.75180000 Z=0.75700000 Nb NPT= 781 R0=.000010000 RMT= 1.76 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=0.00000000 Y=0.25000000 Z=0.10980000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.75000000 Z=0.89020000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.61090000 Y=0.02410000 Z=0.05420000 MULT= 4 ISPLIT= 8 -3: X=0.38910000 Y=0.97590000 Z=0.94580000 -3: X=0.38910000 Y=0.47590000 Z=0.05420000 -3: X=0.61090000 Y=0.52410000 Z=0.94580000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.70530000 Y=0.37260000 Z=0.43060000 MULT= 4 ISPLIT= 8 -4: X=0.29470000 Y=0.62740000 Z=0.56940000 -4: X=0.29470000 Y=0.12740000 Z=0.43060000 -4: X=0.70530000 Y=0.87260000 Z=0.56940000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000