# generated using pymatgen data_SmTh7(Nb3Si4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01775916 _cell_length_b 7.26780748 _cell_length_c 13.57473585 _cell_angle_alpha 90.04850442 _cell_angle_beta 89.90429127 _cell_angle_gamma 90.00040464 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmTh7(Nb3Si4)4 _chemical_formula_sum 'Sm1 Th7 Nb12 Si16' _cell_volume 692.36084721 _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 Sm Sm0 1 0.00261632 0.83007446 0.59714305 1.0 Th Th1 1 0.50322945 0.66932191 0.59623395 1.0 Th Th2 1 0.00249595 0.82991718 0.90308847 1.0 Th Th3 1 0.49818397 0.33061105 0.09653763 1.0 Th Th4 1 0.99699183 0.16959865 0.40421678 1.0 Th Th5 1 0.49708936 0.33107787 0.40460983 1.0 Th Th6 1 0.99827377 0.16921659 0.09648601 1.0 Th Th7 1 0.50254893 0.67027364 0.90243833 1.0 Nb Nb8 1 0.66100907 0.17629901 0.62473835 1.0 Nb Nb9 1 0.16216852 0.32440145 0.87480010 1.0 Nb Nb10 1 0.33727158 0.82510946 0.12491523 1.0 Nb Nb11 1 0.83585672 0.67474377 0.37515687 1.0 Nb Nb12 1 0.33708098 0.82485653 0.37507804 1.0 Nb Nb13 1 0.83740308 0.67475128 0.12490004 1.0 Nb Nb14 1 0.66407163 0.17379641 0.87487782 1.0 Nb Nb15 1 0.16354776 0.32522022 0.62455864 1.0 Nb Nb16 1 0.83654395 0.48893034 0.75077867 1.0 Nb Nb17 1 0.33785459 0.00926798 0.74959439 1.0 Nb Nb18 1 0.16318738 0.50908726 0.25009233 1.0 Nb Nb19 1 0.66301089 0.99152508 0.25048955 1.0 Si Si20 1 0.65815293 0.95804633 0.45771368 1.0 Si Si21 1 0.15868129 0.54229848 0.04286749 1.0 Si Si22 1 0.34195496 0.04261500 0.95665939 1.0 Si Si23 1 0.84424794 0.46109394 0.54385927 1.0 Si Si24 1 0.33865181 0.04005455 0.54350965 1.0 Si Si25 1 0.84115862 0.45716935 0.95700245 1.0 Si Si26 1 0.65847645 0.95744239 0.04314990 1.0 Si Si27 1 0.15633867 0.54406776 0.45774354 1.0 Si Si28 1 0.45759008 0.36833757 0.75007131 1.0 Si Si29 1 0.95869788 0.13007653 0.74832502 1.0 Si Si30 1 0.54202223 0.63185457 0.25017626 1.0 Si Si31 1 0.04181436 0.86808194 0.25047239 1.0 Si Si32 1 0.70190389 0.88954865 0.74815092 1.0 Si Si33 1 0.19763762 0.61100770 0.74864256 1.0 Si Si34 1 0.30102850 0.11043960 0.25046206 1.0 Si Si35 1 0.80121004 0.38978553 0.25045903 1.0