P LATTICE,NONEQUIV.ATOMS 4 14 P21/n MODE OF CALC=RELA unit=bohr 19.379142 10.548451 9.335247 90.000000 90.000000118.150000 ATOM -1: X=0.17010000 Y=0.28490000 Z=0.11240000 MULT= 4 ISPLIT= 8 -1: X=0.82990000 Y=0.71510000 Z=0.88760000 -1: X=0.32990000 Y=0.21510000 Z=0.61240000 -1: X=0.67010000 Y=0.78490000 Z=0.38760000 Li NPT= 781 R0=.000100000 RMT= 1.05 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.02930000 Y=0.72570000 Z=0.34030000 MULT= 4 ISPLIT= 8 -2: X=0.97070000 Y=0.27430000 Z=0.65970000 -2: X=0.47070000 Y=0.77430000 Z=0.84030000 -2: X=0.52930000 Y=0.22570000 Z=0.15970000 Li NPT= 781 R0=.000100000 RMT= 1.05 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.20802000 Y=0.18350000 Z=0.60480000 MULT= 4 ISPLIT= 8 -3: X=0.79198000 Y=0.81650000 Z=0.39520000 -3: X=0.29198000 Y=0.31650000 Z=0.10480000 -3: X=0.70802000 Y=0.68350000 Z=0.89520000 P NPT= 781 R0=.000100000 RMT= 1.16 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.38748000 Y=0.19500000 Z=0.34350000 MULT= 4 ISPLIT= 8 -4: X=0.61252000 Y=0.80500000 Z=0.65650000 -4: X=0.11252000 Y=0.30500000 Z=0.84350000 -4: X=0.88748000 Y=0.69500000 Z=0.15650000 P NPT= 781 R0=.000100000 RMT= 1.16 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000