H LATTICE,NONEQUIV.ATOMS 5 190 P-62c MODE OF CALC=RELA unit=bohr 16.535671 16.535671 12.045492 90.000000 90.000000120.000000 ATOM -1: X=0.18490000 Y=0.17780000 Z=0.25000000 MULT= 6 ISPLIT= 8 -1: X=0.99290000 Y=0.81510000 Z=0.25000000 -1: X=0.17780000 Y=0.18490000 Z=0.75000000 -1: X=0.82220000 Y=0.00710000 Z=0.25000000 -1: X=0.00710000 Y=0.82220000 Z=0.75000000 -1: X=0.81510000 Y=0.99290000 Z=0.75000000 Pt NPT= 781 R0=.000005000 RMT= 2.42 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.18733000 Y=0.45850000 Z=0.01670000 MULT=12 ISPLIT= 8 -2: X=0.27117000 Y=0.81267000 Z=0.48330000 -2: X=0.45850000 Y=0.18733000 Z=0.51670000 -2: X=0.54150000 Y=0.72883000 Z=0.01670000 -2: X=0.72883000 Y=0.54150000 Z=0.98330000 -2: X=0.18733000 Y=0.45850000 Z=0.48330000 -2: X=0.81267000 Y=0.27117000 Z=0.51670000 -2: X=0.27117000 Y=0.81267000 Z=0.01670000 -2: X=0.45850000 Y=0.18733000 Z=0.98330000 -2: X=0.54150000 Y=0.72883000 Z=0.48330000 -2: X=0.72883000 Y=0.54150000 Z=0.51670000 -2: X=0.81267000 Y=0.27117000 Z=0.98330000 Pt NPT= 781 R0=.000005000 RMT= 2.42 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.55660000 Y=0.04300000 Z=0.25000000 MULT= 6 ISPLIT= 8 -3: X=0.48640000 Y=0.44340000 Z=0.25000000 -3: X=0.04300000 Y=0.55660000 Z=0.75000000 -3: X=0.95700000 Y=0.51360000 Z=0.25000000 -3: X=0.51360000 Y=0.95700000 Z=0.75000000 -3: X=0.44340000 Y=0.48640000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.23 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=0.17400000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -4: X=0.82600000 Y=0.82600000 Z=0.50000000 -4: X=0.00000000 Y=0.17400000 Z=0.50000000 -4: X=0.00000000 Y=0.17400000 Z=0.00000000 -4: X=0.17400000 Y=0.00000000 Z=0.50000000 -4: X=0.82600000 Y=0.82600000 Z=0.00000000 B NPT= 781 R0=.000100000 RMT= 1.70 Z: 5.00000 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=0.25000000 MULT= 2 ISPLIT= 4 -5: X=0.66666667 Y=0.33333333 Z=0.75000000 B NPT= 781 R0=.000100000 RMT= 1.70 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000