# generated using pymatgen data_Nd3Tc(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01451930 _cell_length_b 11.19379484 _cell_length_c 12.81089576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Tc(P3Ir4)2 _chemical_formula_sum 'Nd6 Tc2 P12 Ir16' _cell_volume 575.69225938 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.52087267 1.0 Nd Nd1 1 0.50000000 0.00000000 0.47912733 1.0 Nd Nd2 1 0.50000000 0.81997864 0.20545178 1.0 Nd Nd3 1 0.50000000 0.18002136 0.20545178 1.0 Nd Nd4 1 0.00000000 0.68002136 0.79454822 1.0 Nd Nd5 1 0.00000000 0.31997864 0.79454822 1.0 Tc Tc6 1 0.50000000 0.50000000 0.16334944 1.0 Tc Tc7 1 0.00000000 0.00000000 0.83665056 1.0 P P8 1 0.50000000 0.50000000 0.88014557 1.0 P P9 1 0.00000000 0.00000000 0.11985443 1.0 P P10 1 0.50000000 0.50000000 0.34586971 1.0 P P11 1 0.00000000 0.00000000 0.65413029 1.0 P P12 1 0.50000000 0.31316226 0.61690875 1.0 P P13 1 0.50000000 0.68683774 0.61690875 1.0 P P14 1 0.00000000 0.18683774 0.38309125 1.0 P P15 1 0.00000000 0.81316226 0.38309125 1.0 P P16 1 0.50000000 0.84353050 0.88851749 1.0 P P17 1 0.50000000 0.15646950 0.88851749 1.0 P P18 1 0.00000000 0.65646950 0.11148251 1.0 P P19 1 0.00000000 0.34353050 0.11148251 1.0 Ir Ir20 1 0.50000000 0.50000000 0.70136815 1.0 Ir Ir21 1 0.00000000 0.00000000 0.29863185 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99866072 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00133928 1.0 Ir Ir24 1 0.50000000 0.33245270 0.98650927 1.0 Ir Ir25 1 0.50000000 0.66754730 0.98650927 1.0 Ir Ir26 1 0.00000000 0.16754730 0.01349073 1.0 Ir Ir27 1 0.00000000 0.83245270 0.01349073 1.0 Ir Ir28 1 0.50000000 0.29518773 0.43001677 1.0 Ir Ir29 1 0.50000000 0.70481227 0.43001677 1.0 Ir Ir30 1 0.00000000 0.20481227 0.56998323 1.0 Ir Ir31 1 0.00000000 0.79518773 0.56998323 1.0 Ir Ir32 1 0.50000000 0.87445097 0.71233707 1.0 Ir Ir33 1 0.50000000 0.12554903 0.71233707 1.0 Ir Ir34 1 0.00000000 0.62554903 0.28766293 1.0 Ir Ir35 1 0.00000000 0.37445097 0.28766293 1.0