# generated using pymatgen data_Ta6Nb4Al3Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90586936 _cell_length_b 9.90586936 _cell_length_c 5.14716130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Nb4Al3Ir2 _chemical_formula_sum 'Ta12 Nb8 Al6 Ir4' _cell_volume 505.07162452 _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 Ta Ta0 1 0.39889639 0.39300967 0.00000000 1.0 Ta Ta1 1 0.89300967 0.10110361 0.50000000 1.0 Ta Ta2 1 0.10699033 0.89889639 0.50000000 1.0 Ta Ta3 1 0.60110361 0.60699033 0.00000000 1.0 Ta Ta4 1 0.12884232 0.46473421 0.00000000 1.0 Ta Ta5 1 0.96473421 0.37115768 0.50000000 1.0 Ta Ta6 1 0.03526579 0.62884232 0.50000000 1.0 Ta Ta7 1 0.87115768 0.53526579 0.00000000 1.0 Ta Ta8 1 0.37381526 0.96423234 0.50000000 1.0 Ta Ta9 1 0.62618474 0.03576766 0.50000000 1.0 Ta Ta10 1 0.46423234 0.12618474 0.00000000 1.0 Ta Ta11 1 0.53576766 0.87381526 0.00000000 1.0 Nb Nb12 1 0.18266419 0.18299747 0.24983881 1.0 Nb Nb13 1 0.68299747 0.31733581 0.74983881 1.0 Nb Nb14 1 0.31700253 0.68266419 0.74983881 1.0 Nb Nb15 1 0.81733581 0.81700253 0.24983881 1.0 Nb Nb16 1 0.31700253 0.68266419 0.25016119 1.0 Nb Nb17 1 0.68299747 0.31733581 0.25016119 1.0 Nb Nb18 1 0.18266419 0.18299747 0.75016119 1.0 Nb Nb19 1 0.81733581 0.81700253 0.75016119 1.0 Al Al20 1 0.00000000 0.00000000 0.00000000 1.0 Al Al21 1 0.50000000 0.50000000 0.50000000 1.0 Al Al22 1 0.24213819 0.43324887 0.50000000 1.0 Al Al23 1 0.75786181 0.56675113 0.50000000 1.0 Al Al24 1 0.93324887 0.25786181 0.00000000 1.0 Al Al25 1 0.06675113 0.74213819 0.00000000 1.0 Ir Ir26 1 0.25888857 0.93355662 0.00000000 1.0 Ir Ir27 1 0.43355662 0.24111143 0.50000000 1.0 Ir Ir28 1 0.56644338 0.75888857 0.50000000 1.0 Ir Ir29 1 0.74111143 0.06644338 0.00000000 1.0