P LATTICE,NONEQUIV.ATOMS 15 4 P21 MODE OF CALC=RELA unit=bohr 15.248200 13.653271 17.748308 90.000000 90.000000106.734000 ATOM -1: X=0.14186000 Y=0.04859000 Z=0.44848000 MULT= 2 ISPLIT= 8 -1: X=0.85814000 Y=0.95141000 Z=0.94848000 Sb NPT= 781 R0=.000010000 RMT= 1.82 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.70777000 Y=0.31982000 Z=0.21939000 MULT= 2 ISPLIT= 8 -2: X=0.29223000 Y=0.68018000 Z=0.71939000 Xe NPT= 781 R0=.000010000 RMT= 1.68 Z: 54.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.30385000 Y=0.69093000 Z=0.21376000 MULT= 2 ISPLIT= 8 -3: X=0.69615000 Y=0.30907000 Z=0.71376000 Sb NPT= 781 R0=.000010000 RMT= 1.82 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.16330000 Y=0.86620000 Z=0.29270000 MULT= 2 ISPLIT= 8 -4: X=0.83670000 Y=0.13380000 Z=0.79270000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.13770000 Y=0.21140000 Z=0.59930000 MULT= 2 ISPLIT= 8 -5: X=0.86230000 Y=0.78860000 Z=0.09930000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.34800000 Y=0.20650000 Z=0.37560000 MULT= 2 ISPLIT= 8 -6: X=0.65200000 Y=0.79350000 Z=0.87560000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.01030000 Y=0.14850000 Z=0.32470000 MULT= 2 ISPLIT= 8 -7: X=0.98970000 Y=0.85150000 Z=0.82470000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.70020000 Y=0.51370000 Z=0.35180000 MULT= 2 ISPLIT= 8 -8: X=0.29980000 Y=0.48630000 Z=0.85180000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.04840000 Y=0.14610000 Z=0.00760000 MULT= 2 ISPLIT= 8 -9: X=0.95160000 Y=0.85390000 Z=0.50760000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.43120000 Y=0.53420000 Z=0.14500000 MULT= 2 ISPLIT= 8 -10: X=0.56880000 Y=0.46580000 Z=0.64500000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.67600000 Y=0.16210000 Z=0.54840000 MULT= 2 ISPLIT= 8 -11: X=0.32400000 Y=0.83790000 Z=0.04840000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.50620000 Y=0.12600000 Z=0.79040000 MULT= 2 ISPLIT= 8 -12: X=0.49380000 Y=0.87400000 Z=0.29040000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.09180000 Y=0.53510000 Z=0.14750000 MULT= 2 ISPLIT= 8 -13: X=0.90820000 Y=0.46490000 Z=0.64750000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.71860000 Y=0.07750000 Z=0.05700000 MULT= 2 ISPLIT= 8 -14: X=0.28140000 Y=0.92250000 Z=0.55700000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -15: X=0.25990000 Y=0.57200000 Z=0.39090000 MULT= 2 ISPLIT= 8 -15: X=0.74010000 Y=0.42800000 Z=0.89090000 F NPT= 781 R0=.000100000 RMT= 1.65 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000