# generated using pymatgen data_Ta3Cr5N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98721000 _cell_length_b 2.98721000 _cell_length_c 14.57903600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3Cr5N4 _chemical_formula_sum 'Ta3 Cr5 N4' _cell_volume 130.09491368 _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 0.00000000 0.00000000 0.67655500 1.0 Ta Ta1 1 0.50000000 0.50000000 0.49401200 1.0 Ta Ta2 1 0.50000000 0.50000000 0.00496800 1.0 Cr Cr3 1 0.00000000 0.00000000 0.37483600 1.0 Cr Cr4 1 0.00000000 0.00000000 0.88222100 1.0 Cr Cr5 1 0.50000000 0.50000000 0.28604700 1.0 Cr Cr6 1 0.50000000 0.50000000 0.79557400 1.0 Cr Cr7 1 0.00000000 0.00000000 0.17264100 1.0 N N8 1 0.00000000 0.00000000 0.02370800 1.0 N N9 1 0.00000000 0.00000000 0.51862300 1.0 N N10 1 0.50000000 0.50000000 0.15759200 1.0 N N11 1 0.50000000 0.50000000 0.65322200 1.0