P LATTICE,NONEQUIV.ATOMS 10 19 P212121 MODE OF CALC=RELA unit=bohr 13.101471 18.751752 21.493745 90.000000 90.000000 90.000000 ATOM -1: X=0.33880000 Y=0.16720000 Z=0.28390000 MULT= 4 ISPLIT= 8 -1: X=0.16120000 Y=0.83280000 Z=0.78390000 -1: X=0.83880000 Y=0.33280000 Z=0.71610000 -1: X=0.66120000 Y=0.66720000 Z=0.21610000 Pb NPT= 781 R0=.000005000 RMT= 2.42 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.07560000 Y=0.50300000 Z=0.00920000 MULT= 4 ISPLIT= 8 -2: X=0.42440000 Y=0.49700000 Z=0.50920000 -2: X=0.57560000 Y=0.99700000 Z=0.99080000 -2: X=0.92440000 Y=0.00300000 Z=0.49080000 Pb NPT= 781 R0=.000005000 RMT= 2.42 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.07640000 Y=0.11800000 Z=0.03470000 MULT= 4 ISPLIT= 8 -3: X=0.42360000 Y=0.88200000 Z=0.53470000 -3: X=0.57640000 Y=0.38200000 Z=0.96530000 -3: X=0.92360000 Y=0.61800000 Z=0.46530000 As NPT= 781 R0=.000050000 RMT= 1.72 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.29810000 Y=0.19040000 Z=0.79940000 MULT= 4 ISPLIT= 8 -4: X=0.20190000 Y=0.80960000 Z=0.29940000 -4: X=0.79810000 Y=0.30960000 Z=0.20060000 -4: X=0.70190000 Y=0.69040000 Z=0.70060000 As NPT= 781 R0=.000050000 RMT= 1.72 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.06230000 Y=0.27000000 Z=0.46630000 MULT= 4 ISPLIT= 8 -5: X=0.43770000 Y=0.73000000 Z=0.96630000 -5: X=0.56230000 Y=0.23000000 Z=0.53370000 -5: X=0.93770000 Y=0.77000000 Z=0.03370000 Cl NPT= 781 R0=.000100000 RMT= 2.39 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.34020000 Y=0.48350000 Z=0.23960000 MULT= 4 ISPLIT= 8 -6: X=0.15980000 Y=0.51650000 Z=0.73960000 -6: X=0.84020000 Y=0.01650000 Z=0.76040000 -6: X=0.65980000 Y=0.98350000 Z=0.26040000 Cl NPT= 781 R0=.000100000 RMT= 2.39 Z: 17.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.29360000 Y=0.06880000 Z=0.09820000 MULT= 4 ISPLIT= 8 -7: X=0.20640000 Y=0.93120000 Z=0.59820000 -7: X=0.79360000 Y=0.43120000 Z=0.90180000 -7: X=0.70640000 Y=0.56880000 Z=0.40180000 O NPT= 781 R0=.000100000 RMT= 1.55 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.03000000 Y=0.24600000 Z=0.14740000 MULT= 4 ISPLIT= 8 -8: X=0.47000000 Y=0.75400000 Z=0.64740000 -8: X=0.53000000 Y=0.25400000 Z=0.85260000 -8: X=0.97000000 Y=0.74600000 Z=0.35260000 O NPT= 781 R0=.000100000 RMT= 1.55 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.66090000 Y=0.25490000 Z=0.07180000 MULT= 4 ISPLIT= 8 -9: X=0.83910000 Y=0.74510000 Z=0.57180000 -9: X=0.16090000 Y=0.24510000 Z=0.92820000 -9: X=0.33910000 Y=0.75490000 Z=0.42820000 O NPT= 781 R0=.000100000 RMT= 1.55 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.33990000 Y=0.02420000 Z=0.84490000 MULT= 4 ISPLIT= 8 -10: X=0.16010000 Y=0.97580000 Z=0.34490000 -10: X=0.83990000 Y=0.47580000 Z=0.15510000 -10: X=0.66010000 Y=0.52420000 Z=0.65510000 O NPT= 781 R0=.000100000 RMT= 1.55 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000