# generated using pymatgen data_Lu8Sc11Si16Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97825689 _cell_length_b 7.25170168 _cell_length_c 13.75990902 _cell_angle_alpha 90.17217711 _cell_angle_beta 89.60093395 _cell_angle_gamma 89.75676428 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu8Sc11Si16Mo _chemical_formula_sum 'Lu8 Sc11 Si16 Mo1' _cell_volume 696.28333050 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Lu Lu0 1 0.51167165 0.32213886 0.09624850 1.0 Lu Lu1 1 0.00836857 0.17667565 0.40400324 1.0 Lu Lu2 1 0.48932124 0.67725769 0.59604347 1.0 Lu Lu3 1 0.99109290 0.82357260 0.89828847 1.0 Lu Lu4 1 0.48818511 0.68013768 0.89873034 1.0 Lu Lu5 1 0.99418991 0.82858126 0.59557269 1.0 Lu Lu6 1 0.50455928 0.32106615 0.41080367 1.0 Lu Lu7 1 0.00982533 0.17606155 0.09666660 1.0 Sc Sc8 1 0.83390338 0.32219473 0.62357670 1.0 Sc Sc9 1 0.33283423 0.17569885 0.87488242 1.0 Sc Sc10 1 0.16833901 0.67741462 0.12594657 1.0 Sc Sc11 1 0.66383987 0.82588992 0.37926247 1.0 Sc Sc12 1 0.16657735 0.67911773 0.37889741 1.0 Sc Sc13 1 0.66812812 0.82325298 0.12523779 1.0 Sc Sc14 1 0.83211291 0.32234462 0.87193645 1.0 Sc Sc15 1 0.66193877 0.00120309 0.74688798 1.0 Sc Sc16 1 0.16630790 0.49690758 0.74444802 1.0 Sc Sc17 1 0.33465665 0.00456545 0.25228718 1.0 Sc Sc18 1 0.83535134 0.49680959 0.25187030 1.0 Si Si19 1 0.64832475 0.03370769 0.54373501 1.0 Si Si20 1 0.15839231 0.46763255 0.95955913 1.0 Si Si21 1 0.33938697 0.96476117 0.03826855 1.0 Si Si22 1 0.83874248 0.53077383 0.46186460 1.0 Si Si23 1 0.32883061 0.96991663 0.47225343 1.0 Si Si24 1 0.84199372 0.53382490 0.03775845 1.0 Si Si25 1 0.66522910 0.03414807 0.96041034 1.0 Si Si26 1 0.17934421 0.45222378 0.53948422 1.0 Si Si27 1 0.53339255 0.37957087 0.74614645 1.0 Si Si28 1 0.04432687 0.11605958 0.74451174 1.0 Si Si29 1 0.46434568 0.61230490 0.25145184 1.0 Si Si30 1 0.96266718 0.89001882 0.25113394 1.0 Si Si31 1 0.78543246 0.62725619 0.74625910 1.0 Si Si32 1 0.28798511 0.87503803 0.74566383 1.0 Si Si33 1 0.21421630 0.36982024 0.25092135 1.0 Si Si34 1 0.71071421 0.13155066 0.25079054 1.0 Mo Mo35 1 0.33547093 0.18050351 0.62819420 1.0