# generated using pymatgen data_Ti2Nb8Al4Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.94287557 _cell_length_b 9.94287557 _cell_length_c 5.20511468 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2Nb8Al4Au _chemical_formula_sum 'Ti4 Nb16 Al8 Au2' _cell_volume 514.58166969 _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 Ti Ti0 1 0.39611761 0.39611761 0.00000000 1.0 Ti Ti1 1 0.89611761 0.10388239 0.50000000 1.0 Ti Ti2 1 0.10388239 0.89611761 0.50000000 1.0 Ti Ti3 1 0.60388239 0.60388239 0.00000000 1.0 Nb Nb4 1 0.12920617 0.46470072 0.00000000 1.0 Nb Nb5 1 0.96470072 0.37079383 0.50000000 1.0 Nb Nb6 1 0.03529928 0.62920617 0.50000000 1.0 Nb Nb7 1 0.87079383 0.53529928 0.00000000 1.0 Nb Nb8 1 0.37079383 0.96470072 0.50000000 1.0 Nb Nb9 1 0.62920617 0.03529928 0.50000000 1.0 Nb Nb10 1 0.46470072 0.12920617 0.00000000 1.0 Nb Nb11 1 0.53529928 0.87079383 0.00000000 1.0 Nb Nb12 1 0.18450277 0.18450277 0.25371010 1.0 Nb Nb13 1 0.68450277 0.31549723 0.75371010 1.0 Nb Nb14 1 0.31549723 0.68450277 0.75371010 1.0 Nb Nb15 1 0.81549723 0.81549723 0.25371010 1.0 Nb Nb16 1 0.31549723 0.68450277 0.24628990 1.0 Nb Nb17 1 0.68450277 0.31549723 0.24628990 1.0 Nb Nb18 1 0.18450277 0.18450277 0.74628990 1.0 Nb Nb19 1 0.81549723 0.81549723 0.74628990 1.0 Al Al20 1 0.25968647 0.93484507 0.00000000 1.0 Al Al21 1 0.43484507 0.24031353 0.50000000 1.0 Al Al22 1 0.56515493 0.75968647 0.50000000 1.0 Al Al23 1 0.74031353 0.06515493 0.00000000 1.0 Al Al24 1 0.24031353 0.43484507 0.50000000 1.0 Al Al25 1 0.75968647 0.56515493 0.50000000 1.0 Al Al26 1 0.93484507 0.25968647 0.00000000 1.0 Al Al27 1 0.06515493 0.74031353 0.00000000 1.0 Au Au28 1 0.00000000 0.00000000 0.00000000 1.0 Au Au29 1 0.50000000 0.50000000 0.50000000 1.0