B LATTICE,NONEQUIV.ATOMS 2 74 Imma MODE OF CALC=RELA unit=bohr 7.823466 12.498649 14.955293 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.04300000 Z=0.15900000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.95700000 Z=0.84100000 -1: X=0.00000000 Y=0.54300000 Z=0.84100000 -1: X=0.00000000 Y=0.45700000 Z=0.15900000 Ga NPT= 781 R0=.000050000 RMT= 2.37 Z: 31.00000 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=0.55700000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.75000000 Z=0.44300000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000