R LATTICE,NONEQUIV.ATOMS 3 166 R-3m MODE OF CALC=RELA unit=bohr 7.649611 7.649611 65.632076 90.000000 90.000000120.000000 ATOM -1: X=0.25210000 Y=0.25210000 Z=0.25210000 MULT= 2 ISPLIT= 4 -1: X=0.74790000 Y=0.74790000 Z=0.74790000 Ga NPT= 781 R0=.000050000 RMT= 2.29 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=0.32240000 Y=0.32240000 Z=0.32240000 MULT= 2 ISPLIT= 4 -2: X=0.67760000 Y=0.67760000 Z=0.67760000 Ge NPT= 781 R0=.000050000 RMT= 2.29 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.11763000 Y=0.11763000 Z=0.11763000 MULT= 2 ISPLIT= 4 -3: X=0.88237000 Y=0.88237000 Z=0.88237000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000