# generated using pymatgen data_Ta4N5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27495260 _cell_length_b 5.30892754 _cell_length_c 5.30892762 _cell_angle_alpha 80.67106173 _cell_angle_beta 66.25797279 _cell_angle_gamma 66.25798213 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4N5 _chemical_formula_sum 'Ta4 N5' _cell_volume 100.95688156 _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 Ta Ta0 1 0.78282422 0.82259703 0.61175354 1.0 Ta Ta1 1 0.39457875 0.38824646 0.82259703 1.0 Ta Ta2 1 0.60542125 0.61175354 0.17740297 1.0 Ta Ta3 1 0.21717578 0.17740297 0.38824646 1.0 N N4 1 0.50000000 0.00000000 0.00000000 1.0 N N5 1 0.90846607 0.40057291 0.78249395 1.0 N N6 1 0.69096102 0.21750605 0.40057291 1.0 N N7 1 0.30903898 0.78249395 0.59942709 1.0 N N8 1 0.09153393 0.59942709 0.21750605 1.0