# generated using pymatgen data_Tm23Se32 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.03891400 _cell_length_b 8.05798338 _cell_length_c 22.76091901 _cell_angle_alpha 89.90127846 _cell_angle_beta 89.97450239 _cell_angle_gamma 89.91259848 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm23Se32 _chemical_formula_sum 'Tm23 Se32' _cell_volume 1474.38991201 _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 Tm Tm0 1 0.99228500 0.00742700 0.99904500 1.0 Tm Tm1 1 0.99941600 0.00028600 0.50028500 1.0 Tm Tm2 1 0.24896400 0.24817600 0.12277800 1.0 Tm Tm3 1 0.24404400 0.24130000 0.62477200 1.0 Tm Tm4 1 0.24588700 0.24835000 0.87890200 1.0 Tm Tm5 1 0.75204500 0.24750500 0.12267300 1.0 Tm Tm6 1 0.75635100 0.24162800 0.62621500 1.0 Tm Tm7 1 0.99955800 0.48892500 0.25388100 1.0 Tm Tm8 1 0.99951600 0.49977900 0.50034800 1.0 Tm Tm9 1 0.99763800 0.50901900 0.74743900 1.0 Tm Tm10 1 0.50769100 0.49225900 0.99883200 1.0 Tm Tm11 1 0.50011800 0.49466000 0.25485800 1.0 Tm Tm12 1 0.50020100 0.49956300 0.50034200 1.0 Tm Tm13 1 0.50192800 0.50409300 0.74555700 1.0 Tm Tm14 1 0.24389800 0.75767400 0.37541100 1.0 Tm Tm15 1 0.24784600 0.75299500 0.87631600 1.0 Tm Tm16 1 0.75119700 0.75035700 0.12147600 1.0 Tm Tm17 1 0.75618200 0.75760400 0.37522600 1.0 Tm Tm18 1 0.24824200 0.75121000 0.12092500 1.0 Tm Tm19 1 0.75252700 0.75462100 0.87754400 1.0 Tm Tm20 1 0.50077800 0.00674500 0.25333400 1.0 Tm Tm21 1 0.50037700 0.00007200 0.50027500 1.0 Tm Tm22 1 0.50314600 0.99614200 0.74805000 1.0 Se Se23 1 0.99966700 0.99546000 0.37854200 1.0 Se Se24 1 0.49938900 0.99848000 0.37588700 1.0 Se Se25 1 0.00068600 0.00062700 0.87526400 1.0 Se Se26 1 0.49670600 0.99935600 0.87173300 1.0 Se Se27 1 0.74816500 0.24992400 0.24857300 1.0 Se Se28 1 0.25153600 0.24943900 0.24883800 1.0 Se Se29 1 0.74848500 0.25125600 0.49900000 1.0 Se Se30 1 0.74651500 0.25598900 0.74988600 1.0 Se Se31 1 0.74935000 0.25071600 0.00279900 1.0 Se Se32 1 0.25129400 0.25113400 0.49844600 1.0 Se Se33 1 0.25041200 0.25276900 0.75115900 1.0 Se Se34 1 0.24943500 0.25011000 0.00056900 1.0 Se Se35 1 0.00092000 0.50292100 0.37612400 1.0 Se Se36 1 0.00221600 0.50356400 0.87137800 1.0 Se Se37 1 0.50066200 0.50997000 0.37636500 1.0 Se Se38 1 0.49967300 0.49978100 0.87452500 1.0 Se Se39 1 0.49955700 0.50052800 0.12544800 1.0 Se Se40 1 0.00082500 0.50017900 0.12733100 1.0 Se Se41 1 0.49859400 0.48960200 0.62322600 1.0 Se Se42 1 0.00053700 0.49546500 0.62395600 1.0 Se Se43 1 0.74976400 0.75032300 0.99991600 1.0 Se Se44 1 0.74980700 0.74811200 0.24886000 1.0 Se Se45 1 0.25113100 0.74885200 0.00028300 1.0 Se Se46 1 0.25069100 0.74771500 0.24860400 1.0 Se Se47 1 0.74843900 0.74860600 0.50172700 1.0 Se Se48 1 0.74862700 0.75099300 0.75175200 1.0 Se Se49 1 0.25143700 0.74866300 0.50153300 1.0 Se Se50 1 0.25385500 0.74871100 0.75026400 1.0 Se Se51 1 0.49951400 0.99812600 0.12700100 1.0 Se Se52 1 0.50024500 0.00109500 0.62419600 1.0 Se Se53 1 0.00057900 0.99803800 0.12583200 1.0 Se Se54 1 0.00145100 0.00310300 0.62149800 1.0