# generated using pymatgen data_Tm2Nb3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01456971 _cell_length_b 7.01459206 _cell_length_c 12.94563800 _cell_angle_alpha 90.00128367 _cell_angle_beta 89.99241923 _cell_angle_gamma 90.00993404 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Nb3Si4 _chemical_formula_sum 'Tm8 Nb12 Si16' _cell_volume 636.98162346 _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 Tm Tm0 1 0.99992104 0.34126018 0.21758241 1.0 Tm Tm1 1 0.00009982 0.65873515 0.71763358 1.0 Tm Tm2 1 0.15864293 0.49993942 0.46759215 1.0 Tm Tm3 1 0.50010244 0.84132580 0.03240228 1.0 Tm Tm4 1 0.84135980 0.50007428 0.96764751 1.0 Tm Tm5 1 0.49990496 0.15868863 0.53236465 1.0 Tm Tm6 1 0.34136134 0.99998953 0.78242722 1.0 Tm Tm7 1 0.65866381 0.99999915 0.28235160 1.0 Nb Nb8 1 0.17198894 0.17195896 0.00000461 1.0 Nb Nb9 1 0.82799802 0.82808079 0.49999433 1.0 Nb Nb10 1 0.32800250 0.67188422 0.25000816 1.0 Nb Nb11 1 0.67199626 0.32812044 0.75000800 1.0 Nb Nb12 1 0.15134364 0.99262129 0.37659765 1.0 Nb Nb13 1 0.84860799 0.00738265 0.87665056 1.0 Nb Nb14 1 0.50730720 0.65149063 0.62667200 1.0 Nb Nb15 1 0.34862406 0.49277049 0.87338074 1.0 Nb Nb16 1 0.49268577 0.34848095 0.12666070 1.0 Nb Nb17 1 0.65136477 0.50728285 0.37331519 1.0 Nb Nb18 1 0.99267686 0.15149912 0.62336156 1.0 Nb Nb19 1 0.00729659 0.84849638 0.12336376 1.0 Si Si20 1 0.29546828 0.04665682 0.18699884 1.0 Si Si21 1 0.70454476 0.95334987 0.68701720 1.0 Si Si22 1 0.45324896 0.79547106 0.43698456 1.0 Si Si23 1 0.20454264 0.54670271 0.06299861 1.0 Si Si24 1 0.54676491 0.20452715 0.93704089 1.0 Si Si25 1 0.79544999 0.45332092 0.56297752 1.0 Si Si26 1 0.04675267 0.29553401 0.81301798 1.0 Si Si27 1 0.95323512 0.70443793 0.31295750 1.0 Si Si28 1 0.36446324 0.29421416 0.31880321 1.0 Si Si29 1 0.63553960 0.70573823 0.81884848 1.0 Si Si30 1 0.20566757 0.86455881 0.56880124 1.0 Si Si31 1 0.13555076 0.79429559 0.93121029 1.0 Si Si32 1 0.79431762 0.13545287 0.06882603 1.0 Si Si33 1 0.86446227 0.20569233 0.43114724 1.0 Si Si34 1 0.29434326 0.36456999 0.68119792 1.0 Si Si35 1 0.70569863 0.63539564 0.18115382 1.0