B LATTICE,NONEQUIV.ATOMS 4 140 I4/mcm MODE OF CALC=RELA unit=bohr 15.242531 15.242531 27.841335 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.00000000 Z=0.50000000 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=0.17000000 Y=0.67000000 Z=0.14600000 MULT= 8 ISPLIT=15 -2: X=0.83000000 Y=0.33000000 Z=0.85400000 -2: X=0.33000000 Y=0.17000000 Z=0.14600000 -2: X=0.67000000 Y=0.83000000 Z=0.85400000 -2: X=0.83000000 Y=0.33000000 Z=0.14600000 -2: X=0.17000000 Y=0.67000000 Z=0.85400000 -2: X=0.67000000 Y=0.83000000 Z=0.14600000 -2: X=0.33000000 Y=0.17000000 Z=0.85400000 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 -3: X=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.00000000 Z=0.75000000 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 -4: X=0.62200000 Y=0.12200000 Z=0.00000000 MULT= 4 ISPLIT=15 -4: X=0.37800000 Y=0.87800000 Z=0.00000000 -4: X=0.87800000 Y=0.62200000 Z=0.00000000 -4: X=0.12200000 Y=0.37800000 Z=0.00000000 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