B LATTICE,NONEQUIV.ATOMS 4 74 Imma MODE OF CALC=RELA unit=bohr 10.847595 15.232138 10.902964 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.50000000 Z=0.00000000 Zr NPT= 781 R0=.000010000 RMT= 2.04 Z: 40.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.25000000 Z=0.51200000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.75000000 Z=0.48800000 Sr NPT= 781 R0=.000010000 RMT= 2.30 Z: 38.00000 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=0.25000000 Z=0.08700000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.75000000 Z=0.91300000 O NPT= 781 R0=.000100000 RMT= 1.85 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=0.25000000 Y=0.54900000 Z=0.25000000 MULT= 4 ISPLIT= 8 -4: X=0.75000000 Y=0.45100000 Z=0.75000000 -4: X=0.25000000 Y=0.04900000 Z=0.75000000 -4: X=0.75000000 Y=0.95100000 Z=0.25000000 O NPT= 781 R0=.000100000 RMT= 1.85 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000