# generated using pymatgen data_Mo3Se4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.54617287 _cell_length_b 4.72126655 _cell_length_c 8.52950924 _cell_angle_alpha 66.42165808 _cell_angle_beta 109.90491953 _cell_angle_gamma 123.89863529 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo3Se4 _chemical_formula_sum 'Mo6 Se8' _cell_volume 319.21009372 _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 Mo Mo0 1 0.05950400 0.77019000 0.89205700 1.0 Mo Mo1 1 0.46841900 0.47706500 0.35201500 1.0 Mo Mo2 1 0.23408200 0.36609700 0.97688200 1.0 Mo Mo3 1 0.94049600 0.22981000 0.10794300 1.0 Mo Mo4 1 0.53158100 0.52293500 0.64798500 1.0 Mo Mo5 1 0.76591800 0.63390300 0.02311800 1.0 Se Se6 1 0.18891600 0.25307000 0.26663900 1.0 Se Se7 1 0.51341100 0.05378000 0.32231200 1.0 Se Se8 1 0.88435700 0.41312900 0.31121100 1.0 Se Se9 1 0.81108400 0.74693000 0.73336100 1.0 Se Se10 1 0.48658900 0.94622000 0.67768800 1.0 Se Se11 1 0.11564300 0.58687100 0.68878900 1.0 Se Se12 1 0.62048500 0.84520400 0.07571700 1.0 Se Se13 1 0.37951500 0.15479600 0.92428300 1.0