H LATTICE,NONEQUIV.ATOMS 3 176 P63/m MODE OF CALC=RELA unit=bohr 14.331683 14.331683 10.223418 90.000000 90.000000120.000000 ATOM -1: X=0.35678000 Y=0.28378000 Z=0.25000000 MULT= 6 ISPLIT= 8 -1: X=0.64322000 Y=0.71622000 Z=0.75000000 -1: X=0.07300000 Y=0.35678000 Z=0.75000000 -1: X=0.92700000 Y=0.64322000 Z=0.25000000 -1: X=0.71622000 Y=0.07300000 Z=0.25000000 -1: X=0.28378000 Y=0.92700000 Z=0.75000000 Sr NPT= 781 R0=.000010000 RMT= 2.46 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.33333333 Y=0.66666667 Z=0.25000000 MULT= 2 ISPLIT= 4 -2: X=0.66666667 Y=0.33333333 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 1.96 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=0.09220000 Y=0.39880000 Z=0.25000000 MULT= 6 ISPLIT= 8 -3: X=0.90780000 Y=0.60120000 Z=0.75000000 -3: X=0.69340000 Y=0.09220000 Z=0.75000000 -3: X=0.30660000 Y=0.90780000 Z=0.25000000 -3: X=0.60120000 Y=0.69340000 Z=0.25000000 -3: X=0.39880000 Y=0.30660000 Z=0.75000000 N NPT= 781 R0=.000100000 RMT= 1.68 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000