P LATTICE,NONEQUIV.ATOMS 9 118 P-4n2 MODE OF CALC=RELA unit=bohr 16.892451 16.892451 9.589415 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=-2 -1: X=0.50000000 Y=0.50000000 Z=0.50000000 Mg NPT= 781 R0=.000100000 RMT= 2.14 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.50000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.50000000 Y=0.00000000 Z=0.75000000 Mg NPT= 781 R0=.000100000 RMT= 2.14 Z: 12.00000 LOCAL ROT MATRIX: 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.50000000 MULT= 2 ISPLIT=-2 -3: X=0.50000000 Y=0.50000000 Z=0.00000000 C NPT= 781 R0=.000100000 RMT= 1.61 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.25160000 Y=0.23519000 Z=0.58550000 MULT= 8 ISPLIT= 8 -4: X=0.23519000 Y=0.74840000 Z=0.41450000 -4: X=0.24840000 Y=0.73519000 Z=0.08550000 -4: X=0.74840000 Y=0.76481000 Z=0.58550000 -4: X=0.73519000 Y=0.75160000 Z=0.91450000 -4: X=0.76481000 Y=0.25160000 Z=0.41450000 -4: X=0.75160000 Y=0.26481000 Z=0.08550000 -4: X=0.26481000 Y=0.24840000 Z=0.91450000 B NPT= 781 R0=.000100000 RMT= 1.53 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.12813000 Y=0.11588000 Z=0.37549000 MULT= 8 ISPLIT= 8 -5: X=0.11588000 Y=0.87187000 Z=0.62451000 -5: X=0.37187000 Y=0.61588000 Z=0.87549000 -5: X=0.87187000 Y=0.88412000 Z=0.37549000 -5: X=0.61588000 Y=0.62813000 Z=0.12451000 -5: X=0.88412000 Y=0.12813000 Z=0.62451000 -5: X=0.62813000 Y=0.38412000 Z=0.87549000 -5: X=0.38412000 Y=0.37187000 Z=0.12451000 B NPT= 781 R0=.000100000 RMT= 1.53 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.09239000 Y=0.23090000 Z=0.08770000 MULT= 8 ISPLIT= 8 -6: X=0.23090000 Y=0.90761000 Z=0.91230000 -6: X=0.40761000 Y=0.73090000 Z=0.58770000 -6: X=0.90761000 Y=0.76910000 Z=0.08770000 -6: X=0.73090000 Y=0.59239000 Z=0.41230000 -6: X=0.76910000 Y=0.09239000 Z=0.91230000 -6: X=0.59239000 Y=0.26910000 Z=0.58770000 -6: X=0.26910000 Y=0.40761000 Z=0.41230000 B NPT= 781 R0=.000100000 RMT= 1.53 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.24090000 Y=0.07733000 Z=0.08450000 MULT= 8 ISPLIT= 8 -7: X=0.07733000 Y=0.75910000 Z=0.91550000 -7: X=0.25910000 Y=0.57733000 Z=0.58450000 -7: X=0.75910000 Y=0.92267000 Z=0.08450000 -7: X=0.57733000 Y=0.74090000 Z=0.41550000 -7: X=0.92267000 Y=0.24090000 Z=0.91550000 -7: X=0.74090000 Y=0.42267000 Z=0.58450000 -7: X=0.42267000 Y=0.25910000 Z=0.41550000 B NPT= 781 R0=.000100000 RMT= 1.53 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.42088000 Y=0.17480000 Z=0.09840000 MULT= 8 ISPLIT= 8 -8: X=0.17480000 Y=0.57912000 Z=0.90160000 -8: X=0.07912000 Y=0.67480000 Z=0.59840000 -8: X=0.57912000 Y=0.82520000 Z=0.09840000 -8: X=0.67480000 Y=0.92088000 Z=0.40160000 -8: X=0.82520000 Y=0.42088000 Z=0.90160000 -8: X=0.92088000 Y=0.32520000 Z=0.59840000 -8: X=0.32520000 Y=0.07912000 Z=0.40160000 B NPT= 781 R0=.000100000 RMT= 1.53 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.19350000 Y=0.40176000 Z=0.08310000 MULT= 8 ISPLIT= 8 -9: X=0.40176000 Y=0.80650000 Z=0.91690000 -9: X=0.30650000 Y=0.90176000 Z=0.58310000 -9: X=0.80650000 Y=0.59824000 Z=0.08310000 -9: X=0.90176000 Y=0.69350000 Z=0.41690000 -9: X=0.59824000 Y=0.19350000 Z=0.91690000 -9: X=0.69350000 Y=0.09824000 Z=0.58310000 -9: X=0.09824000 Y=0.30650000 Z=0.41690000 B NPT= 781 R0=.000100000 RMT= 1.53 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000