CXZ LATTICE,NONEQUIV.ATOMS 6 12 B2/m MODE OF CALC=RELA unit=bohr 21.603349 19.386700 12.477862 90.000000 90.000000 68.150000 ATOM -1: X=0.68230000 Y=0.05620000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.31770000 Y=0.94380000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.28310000 Y=0.23210000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.71690000 Y=0.76790000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.95610000 Y=0.63210000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.04390000 Y=0.36790000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.88070000 Y=0.05610000 Z=0.19810000 MULT= 4 ISPLIT= 8 -4: X=0.11930000 Y=0.94390000 Z=0.80190000 -4: X=0.11930000 Y=0.94390000 Z=0.19810000 -4: X=0.88070000 Y=0.05610000 Z=0.80190000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.99270000 Y=0.23160000 Z=0.29050000 MULT= 4 ISPLIT= 8 -5: X=0.00730000 Y=0.76840000 Z=0.70950000 -5: X=0.00730000 Y=0.76840000 Z=0.29050000 -5: X=0.99270000 Y=0.23160000 Z=0.70950000 Ga NPT= 781 R0=.000050000 RMT= 2.36 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.69490000 Y=0.41580000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.30510000 Y=0.58420000 Z=0.00000000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000