# generated using pymatgen data_Tb5Mo3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.61229991 _cell_length_b 12.61229883 _cell_length_c 3.97975635 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000025 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Mo3(P3Ir4)4 _chemical_formula_sum 'Tb5 Mo3 P12 Ir16' _cell_volume 548.24623254 _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 0.81310144 0.00000000 1.0 Tb Tb3 1 0.18689856 0.18689856 0.00000000 1.0 Tb Tb4 1 0.81310144 1.00000000 0.00000000 1.0 Mo Mo5 1 0.00000000 0.45325212 0.50000000 1.0 Mo Mo6 1 0.54674788 0.54674788 0.50000000 1.0 Mo Mo7 1 0.45325212 1.00000000 0.50000000 1.0 P P8 1 1.00000000 0.63811125 0.50000000 1.0 P P9 1 0.36188875 0.36188875 0.50000000 1.0 P P10 1 0.63811125 0.00000000 0.50000000 1.0 P P11 1 0.51660702 0.68446795 0.00000000 1.0 P P12 1 0.31553205 0.83213907 0.00000000 1.0 P P13 1 0.16786093 0.48339298 0.00000000 1.0 P P14 1 0.48339298 0.16786093 0.00000000 1.0 P P15 1 0.68446795 0.51660702 0.00000000 1.0 P P16 1 0.83213907 0.31553205 0.00000000 1.0 P P17 1 0.00000000 0.17682623 0.50000000 1.0 P P18 1 0.82317377 0.82317377 0.50000000 1.0 P P19 1 0.17682623 1.00000000 0.50000000 1.0 Ir Ir20 1 0.50881186 0.86641482 0.00000000 1.0 Ir Ir21 1 0.13358518 0.64239804 0.00000000 1.0 Ir Ir22 1 0.35760196 0.49118814 0.00000000 1.0 Ir Ir23 1 0.49118814 0.35760196 0.00000000 1.0 Ir Ir24 1 0.86641482 0.50881186 0.00000000 1.0 Ir Ir25 1 0.64239804 0.13358518 0.00000000 1.0 Ir Ir26 1 0.00000000 0.28644484 0.00000000 1.0 Ir Ir27 1 0.71355516 0.71355516 0.00000000 1.0 Ir Ir28 1 0.28644484 1.00000000 0.00000000 1.0 Ir Ir29 1 0.62549267 0.80414123 0.50000000 1.0 Ir Ir30 1 0.19585877 0.82135144 0.50000000 1.0 Ir Ir31 1 0.17864856 0.37450733 0.50000000 1.0 Ir Ir32 1 0.37450733 0.17864856 0.50000000 1.0 Ir Ir33 1 0.80414123 0.62549267 0.50000000 1.0 Ir Ir34 1 0.82135144 0.19585877 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0