# generated using pymatgen data_Tl2Mo15Se19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 20.30407798 _cell_length_b 20.30407798 _cell_length_c 20.30407752 _cell_angle_alpha 28.16476548 _cell_angle_beta 28.16476548 _cell_angle_gamma 28.16476564 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2Mo15Se19 _chemical_formula_sum 'Tl4 Mo30 Se38' _cell_volume 1647.51410934 _cell_formula_units_Z 2 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 Tl Tl0 1 0.38511300 0.38511300 0.38511300 1.0 Tl Tl1 1 0.88511300 0.88511300 0.88511300 1.0 Tl Tl2 1 0.61488700 0.61488700 0.61488700 1.0 Tl Tl3 1 0.11488700 0.11488700 0.11488700 1.0 Mo Mo4 1 0.31389400 0.50226200 0.62519300 1.0 Mo Mo5 1 0.62519300 0.31389400 0.50226200 1.0 Mo Mo6 1 0.50226200 0.62519300 0.31389400 1.0 Mo Mo7 1 0.12519300 0.00226200 0.81389400 1.0 Mo Mo8 1 0.81389400 0.12519300 0.00226200 1.0 Mo Mo9 1 0.00226200 0.81389400 0.12519300 1.0 Mo Mo10 1 0.68610600 0.49773800 0.37480700 1.0 Mo Mo11 1 0.37480700 0.68610600 0.49773800 1.0 Mo Mo12 1 0.49773800 0.37480700 0.68610600 1.0 Mo Mo13 1 0.87480700 0.99773800 0.18610600 1.0 Mo Mo14 1 0.18610600 0.87480700 0.99773800 1.0 Mo Mo15 1 0.99773800 0.18610600 0.87480700 1.0 Mo Mo16 1 0.13998700 0.27759800 0.44999600 1.0 Mo Mo17 1 0.44999600 0.13998700 0.27759800 1.0 Mo Mo18 1 0.27759800 0.44999600 0.13998700 1.0 Mo Mo19 1 0.94999600 0.77759800 0.63998700 1.0 Mo Mo20 1 0.63998700 0.94999600 0.77759800 1.0 Mo Mo21 1 0.77759800 0.63998700 0.94999600 1.0 Mo Mo22 1 0.86001300 0.72240200 0.55000400 1.0 Mo Mo23 1 0.55000400 0.86001300 0.72240200 1.0 Mo Mo24 1 0.72240200 0.55000400 0.86001300 1.0 Mo Mo25 1 0.05000400 0.22240200 0.36001300 1.0 Mo Mo26 1 0.36001300 0.05000400 0.22240200 1.0 Mo Mo27 1 0.22240200 0.36001300 0.05000400 1.0 Mo Mo28 1 0.09229200 0.40770800 0.25000000 1.0 Mo Mo29 1 0.25000000 0.09229200 0.40770800 1.0 Mo Mo30 1 0.40770800 0.25000000 0.09229200 1.0 Mo Mo31 1 0.75000000 0.90770800 0.59229200 1.0 Mo Mo32 1 0.59229200 0.75000000 0.90770800 1.0 Mo Mo33 1 0.90770800 0.59229200 0.75000000 1.0 Se Se34 1 0.44542300 0.19868700 0.80602100 1.0 Se Se35 1 0.80602100 0.44542300 0.19868700 1.0 Se Se36 1 0.19868700 0.80602100 0.44542300 1.0 Se Se37 1 0.30602100 0.69868700 0.94542300 1.0 Se Se38 1 0.94542300 0.30602100 0.69868700 1.0 Se Se39 1 0.69868700 0.94542300 0.30602100 1.0 Se Se40 1 0.55457700 0.80131300 0.19397900 1.0 Se Se41 1 0.19397900 0.55457700 0.80131300 1.0 Se Se42 1 0.80131300 0.19397900 0.55457700 1.0 Se Se43 1 0.69397900 0.30131300 0.05457700 1.0 Se Se44 1 0.05457700 0.69397900 0.30131300 1.0 Se Se45 1 0.30131300 0.05457700 0.69397900 1.0 Se Se46 1 0.96766700 0.57878800 0.31073600 1.0 Se Se47 1 0.31073600 0.96766700 0.57878800 1.0 Se Se48 1 0.57878800 0.31073600 0.96766700 1.0 Se Se49 1 0.81073600 0.07878800 0.46766700 1.0 Se Se50 1 0.46766700 0.81073600 0.07878800 1.0 Se Se51 1 0.07878800 0.46766700 0.81073600 1.0 Se Se52 1 0.03233300 0.42121200 0.68926400 1.0 Se Se53 1 0.68926400 0.03233300 0.42121200 1.0 Se Se54 1 0.42121200 0.68926400 0.03233300 1.0 Se Se55 1 0.18926400 0.92121200 0.53233300 1.0 Se Se56 1 0.53233300 0.18926400 0.92121200 1.0 Se Se57 1 0.92121200 0.53233300 0.18926400 1.0 Se Se58 1 0.55437300 0.94562700 0.25000000 1.0 Se Se59 1 0.25000000 0.55437300 0.94562700 1.0 Se Se60 1 0.94562700 0.25000000 0.55437300 1.0 Se Se61 1 0.75000000 0.44562700 0.05437300 1.0 Se Se62 1 0.05437300 0.75000000 0.44562700 1.0 Se Se63 1 0.44562700 0.05437300 0.75000000 1.0 Se Se64 1 0.44559800 0.44559800 0.44559800 1.0 Se Se65 1 0.94559800 0.94559800 0.94559800 1.0 Se Se66 1 0.55440200 0.55440200 0.55440200 1.0 Se Se67 1 0.05440200 0.05440200 0.05440200 1.0 Se Se68 1 0.32404900 0.32404900 0.32404900 1.0 Se Se69 1 0.82404900 0.82404900 0.82404900 1.0 Se Se70 1 0.67595100 0.67595100 0.67595100 1.0 Se Se71 1 0.17595100 0.17595100 0.17595100 1.0