# generated using pymatgen data_YbTh3(Ga3Ir)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.59773399 _cell_length_b 7.62180128 _cell_length_c 9.44531568 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.78591723 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbTh3(Ga3Ir)6 _chemical_formula_sum 'Yb1 Th3 Ga18 Ir6' _cell_volume 474.70264945 _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 Yb Yb0 1 0.32965513 0.00367623 0.75000000 1.0 Th Th1 1 0.99863617 0.67024524 0.25000000 1.0 Th Th2 1 0.00058464 0.33127684 0.75000000 1.0 Th Th3 1 0.66836340 0.99562907 0.25000000 1.0 Ga Ga4 1 0.13798940 0.13290345 0.25000000 1.0 Ga Ga5 1 0.87044012 0.86857999 0.75000000 1.0 Ga Ga6 1 0.00692259 0.33434702 0.07886283 1.0 Ga Ga7 1 0.00342526 0.67479660 0.91680965 1.0 Ga Ga8 1 0.00342526 0.67479660 0.58319035 1.0 Ga Ga9 1 0.33488569 0.00564792 0.43183018 1.0 Ga Ga10 1 0.00692259 0.33434702 0.42113717 1.0 Ga Ga11 1 0.65582788 0.99514105 0.58346730 1.0 Ga Ga12 1 0.65582788 0.99514105 0.91653270 1.0 Ga Ga13 1 0.33488569 0.00564792 0.06816982 1.0 Ga Ga14 1 0.33687214 0.33003709 0.56890137 1.0 Ga Ga15 1 0.66143607 0.66079877 0.44133692 1.0 Ga Ga16 1 0.66143607 0.66079877 0.05866308 1.0 Ga Ga17 1 0.33687214 0.33003709 0.93109863 1.0 Ga Ga18 1 0.34128969 0.54005156 0.25000000 1.0 Ga Ga19 1 0.65707767 0.45308075 0.75000000 1.0 Ga Ga20 1 0.54141212 0.33664365 0.25000000 1.0 Ga Ga21 1 0.45656745 0.66371904 0.75000000 1.0 Ir Ir22 1 0.67667705 0.33145075 0.00050913 1.0 Ir Ir23 1 0.32715366 0.66957774 0.00111441 1.0 Ir Ir24 1 0.32715366 0.66957774 0.49888559 1.0 Ir Ir25 1 0.67667705 0.33145075 0.49949087 1.0 Ir Ir26 1 0.99579226 0.00029866 0.00102449 1.0 Ir Ir27 1 0.99579226 0.00029866 0.49897551 1.0