H LATTICE,NONEQUIV.ATOMS 5 194 P63/mmc MODE OF CALC=RELA unit=bohr 19.309222 19.309222 20.012200 90.000000 90.000000120.000000 ATOM -1: X=0.20747000 Y=0.41494000 Z=0.54010000 MULT=12 ISPLIT= 8 -1: X=0.79253000 Y=0.58506000 Z=0.45990000 -1: X=0.79253000 Y=0.20747000 Z=0.04010000 -1: X=0.20747000 Y=0.79253000 Z=0.95990000 -1: X=0.41494000 Y=0.20747000 Z=0.04010000 -1: X=0.58506000 Y=0.79253000 Z=0.95990000 -1: X=0.58506000 Y=0.79253000 Z=0.54010000 -1: X=0.41494000 Y=0.20747000 Z=0.45990000 -1: X=0.79253000 Y=0.58506000 Z=0.04010000 -1: X=0.20747000 Y=0.41494000 Z=0.95990000 -1: X=0.20747000 Y=0.79253000 Z=0.54010000 -1: X=0.79253000 Y=0.20747000 Z=0.45990000 K NPT= 781 R0=.000050000 RMT= 2.50000 Z: 19.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 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= 2.39 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=0.48095000 Y=0.96190000 Z=0.25000000 MULT= 6 ISPLIT= 8 -3: X=0.51905000 Y=0.03810000 Z=0.75000000 -3: X=0.51905000 Y=0.48095000 Z=0.75000000 -3: X=0.48095000 Y=0.51905000 Z=0.25000000 -3: X=0.96190000 Y=0.48095000 Z=0.75000000 -3: X=0.03810000 Y=0.51905000 Z=0.25000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 0.0000000 0.8660254 0.5000000 0.0000000-0.5000000 0.8660254 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -4: X=0.00000000 Y=0.00000000 Z=0.50000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.11620000 Y=0.23240000 Z=0.25000000 MULT= 6 ISPLIT= 8 -5: X=0.88380000 Y=0.76760000 Z=0.75000000 -5: X=0.88380000 Y=0.11620000 Z=0.75000000 -5: X=0.11620000 Y=0.88380000 Z=0.25000000 -5: X=0.23240000 Y=0.11620000 Z=0.75000000 -5: X=0.76760000 Y=0.88380000 Z=0.25000000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.0000000 0.8660254 0.5000000 0.0000000-0.5000000 0.8660254 1.0000000 0.0000000 0.0000000