R LATTICE,NONEQUIV.ATOMS 3 167 R-3c MODE OF CALC=RELA unit=bohr 10.466627 10.466627 25.339337 90.000000 90.000000120.000000 ATOM -1: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.75000000 Y=0.75000000 Z=0.75000000 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 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=0.69380000 Y=0.80620000 Z=0.25000000 MULT= 6 ISPLIT=15 -3: X=0.30620000 Y=0.19380000 Z=0.75000000 -3: X=0.80620000 Y=0.25000000 Z=0.69380000 -3: X=0.19380000 Y=0.75000000 Z=0.30620000 -3: X=0.25000000 Y=0.69380000 Z=0.80620000 -3: X=0.75000000 Y=0.30620000 Z=0.19380000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000