# generated using pymatgen data_TiAl4Ni15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55226500 _cell_length_b 3.55226500 _cell_length_c 17.68818500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiAl4Ni15 _chemical_formula_sum 'Ti1 Al4 Ni15' _cell_volume 223.19989475 _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 0.00000000 0.00000000 0.00000000 1.0 Al Al1 1 0.00000000 0.00000000 0.20122900 1.0 Al Al2 1 0.00000000 0.00000000 0.39941600 1.0 Al Al3 1 0.00000000 0.00000000 0.60058400 1.0 Al Al4 1 0.00000000 0.00000000 0.79877100 1.0 Ni Ni5 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni6 1 0.50000000 0.50000000 0.20052600 1.0 Ni Ni7 1 0.50000000 0.50000000 0.39995000 1.0 Ni Ni8 1 0.50000000 0.50000000 0.60005000 1.0 Ni Ni9 1 0.50000000 0.50000000 0.79947400 1.0 Ni Ni10 1 0.50000000 0.00000000 0.10122500 1.0 Ni Ni11 1 0.50000000 0.00000000 0.29986900 1.0 Ni Ni12 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni13 1 0.50000000 0.00000000 0.70013100 1.0 Ni Ni14 1 0.50000000 0.00000000 0.89877500 1.0 Ni Ni15 1 0.00000000 0.50000000 0.10122500 1.0 Ni Ni16 1 0.00000000 0.50000000 0.29986900 1.0 Ni Ni17 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni18 1 0.00000000 0.50000000 0.70013100 1.0 Ni Ni19 1 0.00000000 0.50000000 0.89877500 1.0