R LATTICE,NONEQUIV.ATOMS 3 166 R-3m MODE OF CALC=RELA unit=bohr 8.252435 8.252435 26.259635 90.000000 90.000000120.000000 ATOM -1: X=0.19900000 Y=0.19900000 Z=0.19900000 MULT= 2 ISPLIT= 4 -1: X=0.80100000 Y=0.80100000 Z=0.80100000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 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 -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 Li NPT= 781 R0=.000100000 RMT= 2.13 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.40500000 Y=0.40500000 Z=0.40500000 MULT= 2 ISPLIT= 4 -3: X=0.59500000 Y=0.59500000 Z=0.59500000 Li NPT= 781 R0=.000100000 RMT= 2.13 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000