# generated using pymatgen data_MgW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78440863 _cell_length_b 5.78440863 _cell_length_c 4.68568600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000719 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgW3 _chemical_formula_sum 'Mg2 W6' _cell_volume 135.77559444 _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 Mg Mg0 1 0.66666700 0.33333300 0.25000000 1.0 Mg Mg1 1 0.33333300 0.66666700 0.75000000 1.0 W W2 1 0.15463000 0.30926000 0.25000000 1.0 W W3 1 0.15463000 0.84537000 0.25000000 1.0 W W4 1 0.69074000 0.84537000 0.25000000 1.0 W W5 1 0.30926000 0.15463000 0.75000000 1.0 W W6 1 0.84537000 0.15463000 0.75000000 1.0 W W7 1 0.84537000 0.69074000 0.75000000 1.0