CXZ LATTICE,NONEQUIV.ATOMS 3 12 B2/m MODE OF CALC=RELA unit=bohr 19.313001 15.665830 6.886162 90.000000 90.000000 59.600000 ATOM -1: X=0.84800000 Y=0.19000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.15200000 Y=0.81000000 Z=0.00000000 Ta NPT= 781 R0=.000005000 RMT= 2.50000 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.59500000 Y=0.11300000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.40500000 Y=0.88700000 Z=0.00000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.85300000 Y=0.53500000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.14700000 Y=0.46500000 Z=0.00000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000