# generated using pymatgen data_Th5Ga6P6Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.99879708 _cell_length_b 12.99879692 _cell_length_c 4.02646811 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000040 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th5Ga6P6Ir19 _chemical_formula_sum 'Th5 Ga6 P6 Ir19' _cell_volume 589.19793523 _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 0.66666700 0.33333300 0.00000000 1.0 Th Th1 1 0.33333300 0.66666700 0.00000000 1.0 Th Th2 1 0.81469222 0.81088927 0.50000000 1.0 Th Th3 1 0.18911073 0.00380294 0.50000000 1.0 Th Th4 1 0.99619706 0.18530778 0.50000000 1.0 Ga Ga5 1 0.67893779 0.15712199 0.50000000 1.0 Ga Ga6 1 0.84287801 0.52181580 0.50000000 1.0 Ga Ga7 1 0.47818420 0.32106221 0.50000000 1.0 Ga Ga8 1 0.62970599 0.63233790 0.00000000 1.0 Ga Ga9 1 0.36766210 0.99736909 0.00000000 1.0 Ga Ga10 1 0.00263091 0.37029401 0.00000000 1.0 P P11 1 0.17705283 0.69752893 0.50000000 1.0 P P12 1 0.52047510 0.82294717 0.50000000 1.0 P P13 1 0.30247107 0.47952490 0.50000000 1.0 P P14 1 0.17692607 0.18205009 0.00000000 1.0 P P15 1 0.81794991 0.99487498 0.00000000 1.0 P P16 1 0.00512502 0.82307393 0.00000000 1.0 Ir Ir17 1 0.81038496 0.17085836 0.00000000 1.0 Ir Ir18 1 0.82914164 0.63952659 0.00000000 1.0 Ir Ir19 1 0.36047341 0.18961504 0.00000000 1.0 Ir Ir20 1 0.17799953 0.79219683 0.00000000 1.0 Ir Ir21 1 0.61419730 0.82200047 0.00000000 1.0 Ir Ir22 1 0.20780317 0.38580270 0.00000000 1.0 Ir Ir23 1 0.44711521 0.43781226 0.00000000 1.0 Ir Ir24 1 0.56218774 0.00930196 0.00000000 1.0 Ir Ir25 1 0.99069804 0.55288479 0.00000000 1.0 Ir Ir26 1 0.27116221 0.28257534 0.50000000 1.0 Ir Ir27 1 0.71742466 0.98858786 0.50000000 1.0 Ir Ir28 1 0.01141214 0.72883779 0.50000000 1.0 Ir Ir29 1 0.87238923 0.35079105 0.50000000 1.0 Ir Ir30 1 0.64920895 0.52159917 0.50000000 1.0 Ir Ir31 1 0.47840083 0.12761077 0.50000000 1.0 Ir Ir32 1 0.37067223 0.86964191 0.50000000 1.0 Ir Ir33 1 0.49897167 0.62932777 0.50000000 1.0 Ir Ir34 1 0.13035809 0.50102833 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0