# generated using pymatgen data_Ti3AlPd2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15089200 _cell_length_b 8.15089209 _cell_length_c 8.15089242 _cell_angle_alpha 59.99999867 _cell_angle_beta 59.99999829 _cell_angle_gamma 59.99999464 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti3AlPd2N _chemical_formula_sum 'Ti12 Al4 Pd8 N4' _cell_volume 382.91327065 _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 Ti Ti0 1 0.81667572 0.81667572 0.18332428 1.0 Ti Ti1 1 0.18332428 0.18332428 0.81667572 1.0 Ti Ti2 1 0.81667572 0.18332428 0.81667572 1.0 Ti Ti3 1 0.18332428 0.81667572 0.18332428 1.0 Ti Ti4 1 0.18332428 0.81667572 0.81667572 1.0 Ti Ti5 1 0.81667572 0.18332428 0.18332428 1.0 Ti Ti6 1 0.43332428 0.43332428 0.06667572 1.0 Ti Ti7 1 0.06667572 0.06667572 0.43332428 1.0 Ti Ti8 1 0.43332428 0.06667572 0.43332428 1.0 Ti Ti9 1 0.06667572 0.43332428 0.06667572 1.0 Ti Ti10 1 0.06667572 0.43332428 0.43332428 1.0 Ti Ti11 1 0.43332428 0.06667572 0.06667572 1.0 Al Al12 1 0.12500000 0.62500000 0.62500000 1.0 Al Al13 1 0.62500000 0.12500000 0.62500000 1.0 Al Al14 1 0.62500000 0.62500000 0.12500000 1.0 Al Al15 1 0.62500000 0.62500000 0.62500000 1.0 Pd Pd16 1 0.76695433 0.41101556 0.41101556 1.0 Pd Pd17 1 0.41101556 0.76695433 0.41101556 1.0 Pd Pd18 1 0.41101556 0.41101556 0.76695433 1.0 Pd Pd19 1 0.41101556 0.41101556 0.41101556 1.0 Pd Pd20 1 0.48304567 0.83898444 0.83898444 1.0 Pd Pd21 1 0.83898444 0.48304567 0.83898444 1.0 Pd Pd22 1 0.83898444 0.83898444 0.48304567 1.0 Pd Pd23 1 0.83898444 0.83898444 0.83898444 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0