# generated using pymatgen data_Nd5Tc3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.68139088 _cell_length_b 12.68139246 _cell_length_c 4.00171497 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999843 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Tc3(P3Ir4)4 _chemical_formula_sum 'Nd5 Tc3 P12 Ir16' _cell_volume 557.32769305 _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 Nd Nd0 1 0.33333300 0.66666700 0.50000000 1.0 Nd Nd1 1 0.66666700 0.33333300 0.50000000 1.0 Nd Nd2 1 1.00000000 0.81376813 0.00000000 1.0 Nd Nd3 1 0.18623187 0.18623187 0.00000000 1.0 Nd Nd4 1 0.81376813 0.00000000 0.00000000 1.0 Tc Tc5 1 1.00000000 0.45460272 0.50000000 1.0 Tc Tc6 1 0.54539728 0.54539728 0.50000000 1.0 Tc Tc7 1 0.45460272 0.00000000 0.50000000 1.0 P P8 1 0.00000000 0.63521604 0.50000000 1.0 P P9 1 0.36478396 0.36478396 0.50000000 1.0 P P10 1 0.63521604 1.00000000 0.50000000 1.0 P P11 1 0.51729518 0.68664738 0.00000000 1.0 P P12 1 0.31335262 0.83064780 0.00000000 1.0 P P13 1 0.16935220 0.48270482 0.00000000 1.0 P P14 1 0.48270482 0.16935220 0.00000000 1.0 P P15 1 0.68664738 0.51729518 0.00000000 1.0 P P16 1 0.83064780 0.31335262 0.00000000 1.0 P P17 1 1.00000000 0.17827747 0.50000000 1.0 P P18 1 0.82172253 0.82172253 0.50000000 1.0 P P19 1 0.17827747 0.00000000 0.50000000 1.0 Ir Ir20 1 0.51017503 0.87076800 0.00000000 1.0 Ir Ir21 1 0.12923200 0.63940803 0.00000000 1.0 Ir Ir22 1 0.36059197 0.48982497 0.00000000 1.0 Ir Ir23 1 0.48982497 0.36059197 0.00000000 1.0 Ir Ir24 1 0.87076800 0.51017503 0.00000000 1.0 Ir Ir25 1 0.63940803 0.12923200 0.00000000 1.0 Ir Ir26 1 1.00000000 0.29083336 0.00000000 1.0 Ir Ir27 1 0.70916664 0.70916664 0.00000000 1.0 Ir Ir28 1 0.29083336 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62311854 0.80198110 0.50000000 1.0 Ir Ir30 1 0.19801890 0.82113845 0.50000000 1.0 Ir Ir31 1 0.17886155 0.37688146 0.50000000 1.0 Ir Ir32 1 0.37688146 0.17886155 0.50000000 1.0 Ir Ir33 1 0.80198110 0.62311854 0.50000000 1.0 Ir Ir34 1 0.82113845 0.19801890 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0