H LATTICE,NONEQUIV.ATOMS 4 193 P63/mcm MODE OF CALC=RELA unit=bohr 14.855137 14.855137 10.302787 90.000000 90.000000120.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -1: X=0.00000000 Y=0.00000000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 2.44 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 -1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.62000000 Y=0.00000000 Z=0.25000000 MULT= 6 ISPLIT= 8 -2: X=0.38000000 Y=0.00000000 Z=0.75000000 -2: X=0.62000000 Y=0.62000000 Z=0.75000000 -2: X=0.38000000 Y=0.38000000 Z=0.25000000 -2: X=0.00000000 Y=0.62000000 Z=0.25000000 -2: X=0.00000000 Y=0.38000000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.44 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000 ATOM -3: X=0.33333333 Y=0.66666667 Z=0.00000000 MULT= 4 ISPLIT= 4 -3: X=0.66666667 Y=0.33333333 Z=0.00000000 -3: X=0.66666666 Y=0.33333333 Z=0.50000000 -3: X=0.33333334 Y=0.66666667 Z=0.50000000 Ti NPT= 781 R0=.000050000 RMT= 2.44 Z: 22.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 -1.0000000 0.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.29000000 Y=0.00000000 Z=0.25000000 MULT= 6 ISPLIT= 8 -4: X=0.71000000 Y=0.00000000 Z=0.75000000 -4: X=0.29000000 Y=0.29000000 Z=0.75000000 -4: X=0.71000000 Y=0.71000000 Z=0.25000000 -4: X=0.00000000 Y=0.29000000 Z=0.25000000 -4: X=0.00000000 Y=0.71000000 Z=0.75000000 Ti NPT= 781 R0=.000050000 RMT= 2.44 Z: 22.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000 0.8660254-0.5000000 -1.0000000 0.0000000 0.0000000