# generated using pymatgen data_Ti4Al11Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90073600 _cell_length_b 3.90073600 _cell_length_c 16.35139100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4Al11Ni _chemical_formula_sum 'Ti4 Al11 Ni1' _cell_volume 248.79853603 _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 Ti Ti0 1 0.50000000 0.50000000 0.38058500 1.0 Ti Ti1 1 0.00000000 0.00000000 0.88705200 1.0 Ti Ti2 1 0.00000000 0.00000000 0.12031300 1.0 Ti Ti3 1 0.50000000 0.50000000 0.61873600 1.0 Al Al4 1 0.50000000 0.00000000 0.00902400 1.0 Al Al5 1 0.00000000 0.50000000 0.49853300 1.0 Al Al6 1 0.00000000 0.50000000 0.00902400 1.0 Al Al7 1 0.50000000 0.00000000 0.49853300 1.0 Al Al8 1 0.00000000 0.50000000 0.23998400 1.0 Al Al9 1 0.50000000 0.00000000 0.75274100 1.0 Al Al10 1 0.50000000 0.00000000 0.23998400 1.0 Al Al11 1 0.00000000 0.50000000 0.75274100 1.0 Al Al12 1 0.00000000 0.00000000 0.62515700 1.0 Al Al13 1 0.00000000 0.00000000 0.36667200 1.0 Al Al14 1 0.50000000 0.50000000 0.87873000 1.0 Ni Ni15 1 0.50000000 0.50000000 0.12218900 1.0