CXZ LATTICE,NONEQUIV.ATOMS 4 15 B2/b MODE OF CALC=RELA unit=bohr 19.352118 14.027626 28.066213 90.000000 90.000000 55.727000 ATOM -1: X=0.00000000 Y=0.25000000 Z=0.00076000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.75000000 Z=0.99924000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.87818000 Y=0.09047000 Z=0.17699000 MULT= 4 ISPLIT=15 -2: X=0.12182000 Y=0.90953000 Z=0.82301000 -2: X=0.12182000 Y=0.40953000 Z=0.17699000 -2: X=0.87818000 Y=0.59047000 Z=0.82301000 I NPT= 781 R0=.000010000 RMT= 2.00000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.80438000 Y=0.26541000 Z=0.43672000 MULT= 4 ISPLIT=15 -3: X=0.19562000 Y=0.73459000 Z=0.56328000 -3: X=0.19562000 Y=0.23459000 Z=0.43672000 -3: X=0.80438000 Y=0.76541000 Z=0.56328000 I NPT= 781 R0=.000010000 RMT= 2.00000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.25000000 Z=0.63589000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.75000000 Z=0.36411000 Sr NPT= 781 R0=.000010000 RMT= 2.00000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000