# generated using pymatgen data_Lu5Tc3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.54154299 _cell_length_b 12.54154323 _cell_length_c 3.93797413 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999937 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Tc3(P3Ir4)4 _chemical_formula_sum 'Lu5 Tc3 P12 Ir16' _cell_volume 536.42059634 _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 Lu Lu0 1 0.33333300 0.66666700 0.00000000 1.0 Lu Lu1 1 0.66666700 0.33333300 0.00000000 1.0 Lu Lu2 1 0.82020159 0.00000000 0.50000000 1.0 Lu Lu3 1 1.00000000 0.82020159 0.50000000 1.0 Lu Lu4 1 0.17979841 0.17979841 0.50000000 1.0 Tc Tc5 1 0.45617903 0.00000000 0.00000000 1.0 Tc Tc6 1 1.00000000 0.45617903 0.00000000 1.0 Tc Tc7 1 0.54382097 0.54382097 0.00000000 1.0 P P8 1 0.17528239 0.00000000 0.00000000 1.0 P P9 1 0.00000000 0.17528239 0.00000000 1.0 P P10 1 0.82471761 0.82471761 0.00000000 1.0 P P11 1 0.16966302 0.48545254 0.50000000 1.0 P P12 1 0.51454746 0.68420948 0.50000000 1.0 P P13 1 0.31579052 0.83033698 0.50000000 1.0 P P14 1 0.68420948 0.51454746 0.50000000 1.0 P P15 1 0.83033698 0.31579052 0.50000000 1.0 P P16 1 0.48545254 0.16966302 0.50000000 1.0 P P17 1 0.64049130 0.00000000 0.00000000 1.0 P P18 1 0.00000000 0.64049130 0.00000000 1.0 P P19 1 0.35950870 0.35950870 0.00000000 1.0 Ir Ir20 1 0.35702888 0.49061826 0.50000000 1.0 Ir Ir21 1 0.50938174 0.86641062 0.50000000 1.0 Ir Ir22 1 0.13358938 0.64297112 0.50000000 1.0 Ir Ir23 1 0.86641062 0.50938174 0.50000000 1.0 Ir Ir24 1 0.64297112 0.13358938 0.50000000 1.0 Ir Ir25 1 0.49061826 0.35702888 0.50000000 1.0 Ir Ir26 1 0.17872287 0.37058969 0.00000000 1.0 Ir Ir27 1 0.62941031 0.80813418 0.00000000 1.0 Ir Ir28 1 0.19186582 0.82127713 0.00000000 1.0 Ir Ir29 1 0.80813418 0.62941031 0.00000000 1.0 Ir Ir30 1 0.82127713 0.19186582 0.00000000 1.0 Ir Ir31 1 0.37058969 0.17872287 0.00000000 1.0 Ir Ir32 1 0.29197453 0.00000000 0.50000000 1.0 Ir Ir33 1 1.00000000 0.29197453 0.50000000 1.0 Ir Ir34 1 0.70802547 0.70802547 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0