H LATTICE,NONEQUIV.ATOMS 5 186 P63mc MODE OF CALC=RELA unit=bohr 17.712403 17.712403 13.929171 90.000000 90.000000120.000000 ATOM -1: X=0.13450000 Y=0.86550000 Z=0.32900000 MULT= 6 ISPLIT= 8 -1: X=0.26900000 Y=0.13450000 Z=0.82900000 -1: X=0.86550000 Y=0.13450000 Z=0.82900000 -1: X=0.13450000 Y=0.26900000 Z=0.32900000 -1: X=0.73100000 Y=0.86550000 Z=0.32900000 -1: X=0.86550000 Y=0.73100000 Z=0.82900000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.47734000 Y=0.52266000 Z=0.00000000 MULT= 6 ISPLIT= 8 -2: X=0.95468000 Y=0.47734000 Z=0.50000000 -2: X=0.52266000 Y=0.47734000 Z=0.50000000 -2: X=0.47734000 Y=0.95468000 Z=0.00000000 -2: X=0.04532000 Y=0.52266000 Z=0.00000000 -2: X=0.52266000 Y=0.04532000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 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=0.62300000 MULT= 2 ISPLIT= 4 -3: X=0.66666666 Y=0.33333333 Z=0.12300000 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 -4: X=0.80900000 Y=0.19100000 Z=0.22150000 MULT= 6 ISPLIT= 8 -4: X=0.61800000 Y=0.80900000 Z=0.72150000 -4: X=0.19100000 Y=0.80900000 Z=0.72150000 -4: X=0.80900000 Y=0.61800000 Z=0.22150000 -4: X=0.38200000 Y=0.19100000 Z=0.22150000 -4: X=0.19100000 Y=0.38200000 Z=0.72150000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 0.0000000 0.5000000 0.8660254 0.0000000-0.8660254 0.5000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.33333333 Y=0.66666667 Z=0.28750000 MULT= 2 ISPLIT= 4 -5: X=0.66666666 Y=0.33333333 Z=0.78750000 P NPT= 781 R0=.000100000 RMT= 2.05 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000