R LATTICE,NONEQUIV.ATOMS 3 161 R3c MODE OF CALC=RELA unit=bohr 10.604766 10.604766 25.978443 90.000000 90.000000120.000000 ATOM -1: X=0.25780000 Y=0.25780000 Z=0.25780000 MULT= 2 ISPLIT=15 -1: X=0.75780000 Y=0.75780000 Z=0.75780000 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=0.32110000 Y=0.22921000 Z=0.86090000 MULT= 6 ISPLIT=15 -3: X=0.22921000 Y=0.86090000 Z=0.32110000 -3: X=0.82110000 Y=0.36090000 Z=0.72921000 -3: X=0.86090000 Y=0.32110000 Z=0.22921000 -3: X=0.36090000 Y=0.72921000 Z=0.82110000 -3: X=0.72921000 Y=0.82110000 Z=0.36090000 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