# generated using pymatgen data_MgTe4Mo3W(SeS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41303807 _cell_length_b 3.41365458 _cell_length_c 42.51854872 _cell_angle_alpha 90.00254957 _cell_angle_beta 90.11984769 _cell_angle_gamma 120.00808940 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgTe4Mo3W(SeS)2 _chemical_formula_sum 'Mg1 Te4 Mo3 W1 Se2 S2' _cell_volume 428.97607358 _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 Mg Mg0 1 0.67200100 0.33597500 0.36621100 1.0 Te Te1 1 0.33544000 0.66778700 0.70177100 1.0 Te Te2 1 0.66574500 0.33280600 0.05008300 1.0 Te Te3 1 0.66817100 0.33408400 0.13799300 1.0 Te Te4 1 0.33262000 0.66630100 0.61354900 1.0 Mo Mo5 1 0.33394600 0.66691200 0.09406700 1.0 Mo Mo6 1 0.33275600 0.66634900 0.47350500 1.0 Mo Mo7 1 0.66958400 0.33485600 0.27647600 1.0 W W8 1 0.66680500 0.33345700 0.65764300 1.0 Se Se9 1 0.66422000 0.33204800 0.43467700 1.0 Se Se10 1 0.66675900 0.33338100 0.51204500 1.0 S S11 1 0.33670800 0.66840400 0.31194300 1.0 S S12 1 0.33381600 0.66692700 0.24163200 1.0