R LATTICE,NONEQUIV.ATOMS 11 166 R-3m MODE OF CALC=RELA unit=bohr 8.925177 8.925177135.644542 90.000000 90.000000120.000000 ATOM -1: X=0.01900000 Y=0.01900000 Z=0.01900000 MULT= 2 ISPLIT= 4 -1: X=0.98100000 Y=0.98100000 Z=0.98100000 Li NPT= 781 R0=.000100000 RMT= 2.15 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=0.22400000 Y=0.22400000 Z=0.22400000 MULT= 2 ISPLIT= 4 -2: X=0.77600000 Y=0.77600000 Z=0.77600000 Li NPT= 781 R0=.000100000 RMT= 2.15 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=0.30200000 Y=0.30200000 Z=0.30200000 MULT= 2 ISPLIT= 4 -3: X=0.69800000 Y=0.69800000 Z=0.69800000 Li NPT= 781 R0=.000100000 RMT= 2.15 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 -4: X=0.05400000 Y=0.05400000 Z=0.05400000 MULT= 2 ISPLIT= 4 -4: X=0.94600000 Y=0.94600000 Z=0.94600000 Li NPT= 781 R0=.000100000 RMT= 2.15 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 -5: X=0.18400000 Y=0.18400000 Z=0.18400000 MULT= 2 ISPLIT= 4 -5: X=0.81600000 Y=0.81600000 Z=0.81600000 Li NPT= 781 R0=.000100000 RMT= 2.15 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 -6: X=0.26230000 Y=0.26230000 Z=0.26230000 MULT= 2 ISPLIT= 4 -6: X=0.73770000 Y=0.73770000 Z=0.73770000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.45000000 Y=0.45000000 Z=0.45000000 MULT= 2 ISPLIT= 4 -7: X=0.55000000 Y=0.55000000 Z=0.55000000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.38045000 Y=0.38045000 Z=0.38045000 MULT= 2 ISPLIT= 4 -8: X=0.61955000 Y=0.61955000 Z=0.61955000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.14088000 Y=0.14088000 Z=0.14088000 MULT= 2 ISPLIT= 4 -9: X=0.85912000 Y=0.85912000 Z=0.85912000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.10058000 Y=0.10058000 Z=0.10058000 MULT= 2 ISPLIT= 4 -10: X=0.89942000 Y=0.89942000 Z=0.89942000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.34081000 Y=0.34081000 Z=0.34081000 MULT= 2 ISPLIT= 4 -11: X=0.65919000 Y=0.65919000 Z=0.65919000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000