# generated using pymatgen data_Tb5Mg3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.73630376 _cell_length_b 12.73630338 _cell_length_c 3.96633964 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000354 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Mg3(P3Ir4)4 _chemical_formula_sum 'Tb5 Mg3 P12 Ir16' _cell_volume 557.19514100 _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 Tb Tb0 1 0.33333300 0.66666700 0.50000000 1.0 Tb Tb1 1 0.66666700 0.33333300 0.50000000 1.0 Tb Tb2 1 0.00000000 0.80931026 0.00000000 1.0 Tb Tb3 1 0.19068974 0.19068974 0.00000000 1.0 Tb Tb4 1 0.80931026 0.00000000 0.00000000 1.0 Mg Mg5 1 0.00000000 0.44356759 0.50000000 1.0 Mg Mg6 1 0.55643241 0.55643241 0.50000000 1.0 Mg Mg7 1 0.44356759 0.00000000 0.50000000 1.0 P P8 1 1.00000000 0.63923796 0.50000000 1.0 P P9 1 0.36076204 0.36076204 0.50000000 1.0 P P10 1 0.63923796 1.00000000 0.50000000 1.0 P P11 1 0.51715782 0.68915308 0.00000000 1.0 P P12 1 0.31084692 0.82800375 0.00000000 1.0 P P13 1 0.17199625 0.48284218 0.00000000 1.0 P P14 1 0.48284218 0.17199625 0.00000000 1.0 P P15 1 0.68915308 0.51715782 0.00000000 1.0 P P16 1 0.82800375 0.31084692 0.00000000 1.0 P P17 1 0.00000000 0.17713870 0.50000000 1.0 P P18 1 0.82286130 0.82286130 0.50000000 1.0 P P19 1 0.17713870 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50791678 0.86790168 0.00000000 1.0 Ir Ir21 1 0.13209832 0.64001610 0.00000000 1.0 Ir Ir22 1 0.35998390 0.49208322 0.00000000 1.0 Ir Ir23 1 0.49208322 0.35998390 0.00000000 1.0 Ir Ir24 1 0.86790168 0.50791678 0.00000000 1.0 Ir Ir25 1 0.64001610 0.13209832 0.00000000 1.0 Ir Ir26 1 1.00000000 0.27859459 0.00000000 1.0 Ir Ir27 1 0.72140541 0.72140541 0.00000000 1.0 Ir Ir28 1 0.27859459 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62796371 0.80663910 0.50000000 1.0 Ir Ir30 1 0.19336090 0.82132361 0.50000000 1.0 Ir Ir31 1 0.17867639 0.37203629 0.50000000 1.0 Ir Ir32 1 0.37203629 0.17867639 0.50000000 1.0 Ir Ir33 1 0.80663910 0.62796371 0.50000000 1.0 Ir Ir34 1 0.82132361 0.19336090 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0