# generated using pymatgen data_U2Si7Ru12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01307600 _cell_length_b 11.28264500 _cell_length_c 26.43350100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U2Si7Ru12 _chemical_formula_sum 'U8 Si28 Ru48' _cell_volume 1196.85901529 _cell_formula_units_Z 4 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 U U0 1 0.25000000 0.79359300 0.21214300 1.0 U U1 1 0.75000000 0.20640700 0.78785700 1.0 U U2 1 0.75000000 0.70640700 0.71214300 1.0 U U3 1 0.25000000 0.29359200 0.28785700 1.0 U U4 1 0.25000000 0.83583800 0.43557500 1.0 U U5 1 0.75000000 0.16416200 0.56442500 1.0 U U6 1 0.75000000 0.66416200 0.93557500 1.0 U U7 1 0.25000000 0.33583800 0.06442500 1.0 Si Si8 1 0.25000000 0.06628800 0.13287100 1.0 Si Si9 1 0.75000000 0.93371200 0.86712900 1.0 Si Si10 1 0.75000000 0.43371200 0.63287100 1.0 Si Si11 1 0.25000000 0.56628800 0.36712900 1.0 Si Si12 1 0.25000000 0.82648400 0.79069900 1.0 Si Si13 1 0.75000000 0.17351600 0.20930100 1.0 Si Si14 1 0.75000000 0.67351600 0.29069900 1.0 Si Si15 1 0.25000000 0.32648400 0.70930100 1.0 Si Si16 1 0.25000000 0.73795600 0.63127000 1.0 Si Si17 1 0.75000000 0.26204400 0.36873000 1.0 Si Si18 1 0.75000000 0.76204400 0.13127000 1.0 Si Si19 1 0.25000000 0.23795600 0.86873000 1.0 Si Si20 1 0.25000000 0.53260500 0.56531600 1.0 Si Si21 1 0.75000000 0.46739500 0.43468400 1.0 Si Si22 1 0.75000000 0.96739500 0.06531600 1.0 Si Si23 1 0.25000000 0.03260500 0.93468400 1.0 Si Si24 1 0.25000000 0.81638900 0.99879500 1.0 Si Si25 1 0.75000000 0.18361100 0.00120500 1.0 Si Si26 1 0.75000000 0.68361100 0.49879500 1.0 Si Si27 1 0.25000000 0.31638900 0.50120500 1.0 Si Si28 1 0.25000000 0.95517800 0.56018900 1.0 Si Si29 1 0.75000000 0.04482200 0.43981100 1.0 Si Si30 1 0.75000000 0.54482200 0.06018900 1.0 Si Si31 1 0.25000000 0.45517800 0.93981100 1.0 Si Si32 1 0.25000000 0.98481100 0.31635000 1.0 Si Si33 1 0.75000000 0.01518900 0.68365000 1.0 Si Si34 1 0.75000000 0.51518900 0.81635000 1.0 Si Si35 1 0.25000000 0.48481100 0.18365000 1.0 Ru Ru36 1 0.25000000 0.53563200 0.66566800 1.0 Ru Ru37 1 0.75000000 0.46436800 0.33433200 1.0 Ru Ru38 1 0.75000000 0.96436800 0.16566800 1.0 Ru Ru39 1 0.25000000 0.03563200 0.83433200 1.0 Ru Ru40 1 0.25000000 0.75246100 0.54197800 1.0 Ru Ru41 1 0.75000000 0.24753900 0.45802200 1.0 Ru Ru42 1 0.75000000 0.74753900 0.04197800 1.0 Ru Ru43 1 0.25000000 0.25246100 0.95802200 1.0 Ru Ru44 1 0.25000000 0.58013900 0.86879200 1.0 Ru Ru45 1 0.75000000 0.41986100 0.13120800 1.0 Ru Ru46 1 0.75000000 0.91986100 0.36879200 1.0 Ru Ru47 1 0.25000000 0.08013900 0.63120800 1.0 Ru Ru48 1 0.25000000 0.59247800 0.00750600 1.0 Ru Ru49 1 0.75000000 0.40752200 0.99249400 1.0 Ru Ru50 1 0.75000000 0.90752200 0.50750600 1.0 Ru Ru51 1 0.25000000 0.09247800 0.49249400 1.0 Ru Ru52 1 0.25000000 0.88098900 0.69609500 1.0 Ru Ru53 1 0.75000000 0.11901100 0.30390500 1.0 Ru Ru54 1 0.75000000 0.61901100 0.19609500 1.0 Ru Ru55 1 0.25000000 0.38098900 0.80390500 1.0 Ru Ru56 1 0.25000000 0.77005500 0.32849500 1.0 Ru Ru57 1 0.75000000 0.22994500 0.67150500 1.0 Ru Ru58 1 0.75000000 0.72994500 0.82849500 1.0 Ru Ru59 1 0.25000000 0.27005500 0.17150500 1.0 Ru Ru60 1 0.25000000 0.55477400 0.27023800 1.0 Ru Ru61 1 0.75000000 0.44522600 0.72976200 1.0 Ru Ru62 1 0.75000000 0.94522600 0.77023800 1.0 Ru Ru63 1 0.25000000 0.05477400 0.22976200 1.0 Ru Ru64 1 0.25000000 0.60857900 0.76480800 1.0 Ru Ru65 1 0.75000000 0.39142100 0.23519200 1.0 Ru Ru66 1 0.75000000 0.89142100 0.26480800 1.0 Ru Ru67 1 0.25000000 0.10857900 0.73519200 1.0 Ru Ru68 1 0.25000000 0.62006500 0.11222600 1.0 Ru Ru69 1 0.75000000 0.37993500 0.88777400 1.0 Ru Ru70 1 0.75000000 0.87993500 0.61222600 1.0 Ru Ru71 1 0.25000000 0.12006500 0.38777400 1.0 Ru Ru72 1 0.25000000 0.06967100 0.03236900 1.0 Ru Ru73 1 0.75000000 0.93032900 0.96763100 1.0 Ru Ru74 1 0.75000000 0.43032900 0.53236900 1.0 Ru Ru75 1 0.25000000 0.56967100 0.46763100 1.0 Ru Ru76 1 0.25000000 0.81944800 0.89719700 1.0 Ru Ru77 1 0.75000000 0.18055200 0.10280300 1.0 Ru Ru78 1 0.75000000 0.68055200 0.39719700 1.0 Ru Ru79 1 0.25000000 0.31944800 0.60280300 1.0 Ru Ru80 1 0.25000000 0.86814400 0.09656400 1.0 Ru Ru81 1 0.75000000 0.13185600 0.90343600 1.0 Ru Ru82 1 0.75000000 0.63185600 0.59656400 1.0 Ru Ru83 1 0.25000000 0.36814400 0.40343600 1.0