# generated using pymatgen data_Th5Mn3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.76626315 _cell_length_b 12.76626287 _cell_length_c 4.05170583 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999817 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th5Mn3(P3Ir4)4 _chemical_formula_sum 'Th5 Mn3 P12 Ir16' _cell_volume 571.86842842 _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 Th Th0 1 0.33333300 0.66666700 0.50000000 1.0 Th Th1 1 0.66666700 0.33333300 0.50000000 1.0 Th Th2 1 0.00000000 0.81035007 0.00000000 1.0 Th Th3 1 0.18964993 0.18964993 0.00000000 1.0 Th Th4 1 0.81035007 1.00000000 0.00000000 1.0 Mn Mn5 1 1.00000000 0.44897610 0.50000000 1.0 Mn Mn6 1 0.55102390 0.55102390 0.50000000 1.0 Mn Mn7 1 0.44897610 1.00000000 0.50000000 1.0 P P8 1 0.00000000 0.63069430 0.50000000 1.0 P P9 1 0.36930570 0.36930570 0.50000000 1.0 P P10 1 0.63069430 0.00000000 0.50000000 1.0 P P11 1 0.51926328 0.68591591 0.00000000 1.0 P P12 1 0.31408409 0.83334737 0.00000000 1.0 P P13 1 0.16665263 0.48073672 0.00000000 1.0 P P14 1 0.48073672 0.16665263 0.00000000 1.0 P P15 1 0.68591591 0.51926328 0.00000000 1.0 P P16 1 0.83334737 0.31408409 0.00000000 1.0 P P17 1 0.00000000 0.17865984 0.50000000 1.0 P P18 1 0.82134016 0.82134016 0.50000000 1.0 P P19 1 0.17865984 0.00000000 0.50000000 1.0 Ir Ir20 1 0.50826196 0.86548265 0.00000000 1.0 Ir Ir21 1 0.13451735 0.64278030 0.00000000 1.0 Ir Ir22 1 0.35721970 0.49173804 0.00000000 1.0 Ir Ir23 1 0.49173804 0.35721970 0.00000000 1.0 Ir Ir24 1 0.86548265 0.50826196 0.00000000 1.0 Ir Ir25 1 0.64278030 0.13451735 0.00000000 1.0 Ir Ir26 1 0.00000000 0.28638852 0.00000000 1.0 Ir Ir27 1 0.71361148 0.71361148 0.00000000 1.0 Ir Ir28 1 0.28638852 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62629706 0.80464766 0.50000000 1.0 Ir Ir30 1 0.19535234 0.82164940 0.50000000 1.0 Ir Ir31 1 0.17835060 0.37370294 0.50000000 1.0 Ir Ir32 1 0.37370294 0.17835060 0.50000000 1.0 Ir Ir33 1 0.80464766 0.62629706 0.50000000 1.0 Ir Ir34 1 0.82164940 0.19535234 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0