# generated using pymatgen data_ThAl10ReIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88068210 _cell_length_b 6.87122186 _cell_length_c 9.16861252 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 97.34133201 _symmetry_Int_Tables_number 1 _chemical_formula_structural ThAl10ReIr _chemical_formula_sum 'Th2 Al20 Re2 Ir2' _cell_volume 429.92657669 _cell_formula_units_Z 2 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 0.86122298 0.11835267 0.75000000 1.0 Th Th1 1 0.13877702 0.88164733 0.25000000 1.0 Al Al2 1 0.51119763 0.77680154 0.75000000 1.0 Al Al3 1 0.48880237 0.22319846 0.25000000 1.0 Al Al4 1 0.59879981 0.86007655 0.25000000 1.0 Al Al5 1 0.77527457 0.77566080 0.99897228 1.0 Al Al6 1 0.15787598 0.84003292 0.60345304 1.0 Al Al7 1 0.22472543 0.22433920 0.00102772 1.0 Al Al8 1 0.14541172 0.40783163 0.25000000 1.0 Al Al9 1 0.61933701 0.37649919 0.95147437 1.0 Al Al10 1 0.84212402 0.15996708 0.10345304 1.0 Al Al11 1 0.38066299 0.62350081 0.45147437 1.0 Al Al12 1 0.15787598 0.84003292 0.89654696 1.0 Al Al13 1 0.21706713 0.48134044 0.75000000 1.0 Al Al14 1 0.38066299 0.62350081 0.04852563 1.0 Al Al15 1 0.84212402 0.15996708 0.39654696 1.0 Al Al16 1 0.61933701 0.37649919 0.54852563 1.0 Al Al17 1 0.40120019 0.13992345 0.75000000 1.0 Al Al18 1 0.78293287 0.51865956 0.25000000 1.0 Al Al19 1 0.77527457 0.77566080 0.50102772 1.0 Al Al20 1 0.22472543 0.22433920 0.49897228 1.0 Al Al21 1 0.85458828 0.59216837 0.75000000 1.0 Re Re22 1 0.50000000 0.00000000 0.00000000 1.0 Re Re23 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.00000000 1.0