# generated using pymatgen data_Tb3Tc(P3Ir4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97224034 _cell_length_b 11.09197035 _cell_length_c 12.71441181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Tc(P3Ir4)2 _chemical_formula_sum 'Tb6 Tc2 P12 Ir16' _cell_volume 560.19662960 _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 Tb Tb0 1 0.00000000 0.50000000 0.52237635 1.0 Tb Tb1 1 0.50000000 0.00000000 0.47762365 1.0 Tb Tb2 1 0.50000000 0.81974060 0.20629784 1.0 Tb Tb3 1 0.50000000 0.18025940 0.20629784 1.0 Tb Tb4 1 0.00000000 0.68025940 0.79370216 1.0 Tb Tb5 1 0.00000000 0.31974060 0.79370216 1.0 Tc Tc6 1 0.50000000 0.50000000 0.16339136 1.0 Tc Tc7 1 0.00000000 0.00000000 0.83660864 1.0 P P8 1 0.50000000 0.50000000 0.87648317 1.0 P P9 1 0.00000000 0.00000000 0.12351683 1.0 P P10 1 0.50000000 0.50000000 0.34893713 1.0 P P11 1 0.00000000 0.00000000 0.65106287 1.0 P P12 1 0.50000000 0.31541607 0.61788675 1.0 P P13 1 0.50000000 0.68458393 0.61788675 1.0 P P14 1 0.00000000 0.18458393 0.38211325 1.0 P P15 1 0.00000000 0.81541607 0.38211325 1.0 P P16 1 0.50000000 0.84351025 0.88655529 1.0 P P17 1 0.50000000 0.15648975 0.88655529 1.0 P P18 1 0.00000000 0.65648975 0.11344471 1.0 P P19 1 0.00000000 0.34351025 0.11344471 1.0 Ir Ir20 1 0.50000000 0.50000000 0.69968713 1.0 Ir Ir21 1 0.00000000 0.00000000 0.30031287 1.0 Ir Ir22 1 0.00000000 0.50000000 0.99848118 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00151882 1.0 Ir Ir24 1 0.50000000 0.33190585 0.98233157 1.0 Ir Ir25 1 0.50000000 0.66809415 0.98233157 1.0 Ir Ir26 1 0.00000000 0.16809415 0.01766843 1.0 Ir Ir27 1 0.00000000 0.83190585 0.01766843 1.0 Ir Ir28 1 0.50000000 0.29848994 0.43160871 1.0 Ir Ir29 1 0.50000000 0.70151006 0.43160871 1.0 Ir Ir30 1 0.00000000 0.20151006 0.56839129 1.0 Ir Ir31 1 0.00000000 0.79848994 0.56839129 1.0 Ir Ir32 1 0.50000000 0.87271250 0.71104710 1.0 Ir Ir33 1 0.50000000 0.12728750 0.71104710 1.0 Ir Ir34 1 0.00000000 0.62728750 0.28895290 1.0 Ir Ir35 1 0.00000000 0.37271250 0.28895290 1.0