# generated using pymatgen data_Fe3W3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80221905 _cell_length_b 7.80221905 _cell_length_c 7.80221905 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe3W3N _chemical_formula_sum 'Fe12 W12 N4' _cell_volume 335.84541207 _cell_formula_units_Z 4 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 Fe Fe0 1 0.62500000 0.12500000 0.12500000 1.0 Fe Fe1 1 0.12500000 0.12500000 0.62500000 1.0 Fe Fe2 1 0.12500000 0.12500000 0.12500000 1.0 Fe Fe3 1 0.12500000 0.62500000 0.12500000 1.0 Fe Fe4 1 0.92181700 0.23455000 0.92181700 1.0 Fe Fe5 1 0.32818300 0.32818300 0.32818300 1.0 Fe Fe6 1 0.01545000 0.32818300 0.32818300 1.0 Fe Fe7 1 0.32818300 0.32818300 0.01545000 1.0 Fe Fe8 1 0.32818300 0.01545000 0.32818300 1.0 Fe Fe9 1 0.92181700 0.92181700 0.92181700 1.0 Fe Fe10 1 0.92181700 0.92181700 0.23455000 1.0 Fe Fe11 1 0.23455000 0.92181700 0.92181700 1.0 W W12 1 0.95322300 0.54677700 0.54677700 1.0 W W13 1 0.70322300 0.29677700 0.29677700 1.0 W W14 1 0.54677700 0.54677700 0.95322300 1.0 W W15 1 0.95322300 0.54677700 0.95322300 1.0 W W16 1 0.54677700 0.95322300 0.54677700 1.0 W W17 1 0.95322300 0.95322300 0.54677700 1.0 W W18 1 0.70322300 0.70322300 0.29677700 1.0 W W19 1 0.29677700 0.29677700 0.70322300 1.0 W W20 1 0.29677700 0.70322300 0.70322300 1.0 W W21 1 0.29677700 0.70322300 0.29677700 1.0 W W22 1 0.70322300 0.29677700 0.70322300 1.0 W W23 1 0.54677700 0.95322300 0.95322300 1.0 N N24 1 0.12500000 0.62500000 0.62500000 1.0 N N25 1 0.62500000 0.62500000 0.12500000 1.0 N N26 1 0.62500000 0.62500000 0.62500000 1.0 N N27 1 0.62500000 0.12500000 0.62500000 1.0