# generated using pymatgen data_Ta6Al16Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52013165 _cell_length_b 8.52013151 _cell_length_c 8.52013181 _cell_angle_alpha 59.99999885 _cell_angle_beta 59.99999937 _cell_angle_gamma 59.99999906 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Al16Ir7 _chemical_formula_sum 'Ta6 Al16 Ir7' _cell_volume 437.34474267 _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 Ta Ta0 1 0.67801995 0.32198005 0.32198005 1.0 Ta Ta1 1 0.32198005 0.67801995 0.67801995 1.0 Ta Ta2 1 0.32198005 0.67801995 0.32198005 1.0 Ta Ta3 1 0.67801995 0.32198005 0.67801995 1.0 Ta Ta4 1 0.32198005 0.32198005 0.67801995 1.0 Ta Ta5 1 0.67801995 0.67801995 0.32198005 1.0 Al Al6 1 0.33575236 0.33575236 0.33575236 1.0 Al Al7 1 0.66424764 0.66424764 0.66424764 1.0 Al Al8 1 0.33575236 0.33575236 0.99274292 1.0 Al Al9 1 0.33575236 0.99274292 0.33575236 1.0 Al Al10 1 0.66424764 0.66424764 0.00725708 1.0 Al Al11 1 0.66424764 0.00725708 0.66424764 1.0 Al Al12 1 0.99274292 0.33575236 0.33575236 1.0 Al Al13 1 0.00725708 0.66424764 0.66424764 1.0 Al Al14 1 0.11953107 0.11953107 0.11953107 1.0 Al Al15 1 0.88046893 0.88046893 0.88046893 1.0 Al Al16 1 0.11953107 0.11953107 0.64140578 1.0 Al Al17 1 0.11953107 0.64140578 0.11953107 1.0 Al Al18 1 0.88046893 0.88046893 0.35859422 1.0 Al Al19 1 0.88046893 0.35859422 0.88046893 1.0 Al Al20 1 0.64140578 0.11953107 0.11953107 1.0 Al Al21 1 0.35859422 0.88046893 0.88046893 1.0 Ir Ir22 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir24 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir25 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir27 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.00000000 1.0