# generated using pymatgen data_Ti(Mo3Se4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66988613 _cell_length_b 6.66988613 _cell_length_c 6.66988569 _cell_angle_alpha 90.94010123 _cell_angle_beta 90.94010123 _cell_angle_gamma 90.94010261 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti(Mo3Se4)2 _chemical_formula_sum 'Ti1 Mo6 Se8' _cell_volume 296.60459570 _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 Ti Ti0 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo1 1 0.44784300 0.77325200 0.57829200 1.0 Mo Mo2 1 0.55215700 0.22674800 0.42170800 1.0 Mo Mo3 1 0.77325200 0.57829200 0.44784300 1.0 Mo Mo4 1 0.22674800 0.42170800 0.55215700 1.0 Mo Mo5 1 0.57829200 0.44784300 0.77325200 1.0 Mo Mo6 1 0.42170800 0.55215700 0.22674800 1.0 Se Se7 1 0.63948000 0.87466200 0.24185600 1.0 Se Se8 1 0.36052000 0.12533800 0.75814400 1.0 Se Se9 1 0.77760100 0.77760100 0.77760100 1.0 Se Se10 1 0.22239900 0.22239900 0.22239900 1.0 Se Se11 1 0.24185600 0.63948000 0.87466200 1.0 Se Se12 1 0.75814400 0.36052000 0.12533800 1.0 Se Se13 1 0.87466200 0.24185600 0.63948000 1.0 Se Se14 1 0.12533800 0.75814400 0.36052000 1.0