# generated using pymatgen data_Ti5Al11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90683164 _cell_length_b 3.90683164 _cell_length_c 16.40950586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti5Al11 _chemical_formula_sum 'Ti5 Al11' _cell_volume 250.46375991 _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 0.37641989 1.0 Ti Ti1 1 0.00000000 -0.00000000 0.87959604 1.0 Ti Ti2 1 0.00000000 -0.00000000 0.11914919 1.0 Ti Ti3 1 0.50000000 0.50000000 0.61679206 1.0 Ti Ti4 1 0.50000000 0.50000000 0.13379091 1.0 Al Al5 1 0.50000000 -0.00000000 0.00193078 1.0 Al Al6 1 0.00000000 0.50000000 0.49844789 1.0 Al Al7 1 0.50000000 -0.00000000 0.49844789 1.0 Al Al8 1 0.00000000 0.50000000 0.00193078 1.0 Al Al9 1 -0.00000000 0.50000000 0.25000873 1.0 Al Al10 1 0.50000000 -0.00000000 0.74939139 1.0 Al Al11 1 0.50000000 0.00000000 0.25000873 1.0 Al Al12 1 0.00000000 0.50000000 0.74939139 1.0 Al Al13 1 0.00000000 -0.00000000 0.62450941 1.0 Al Al14 1 0.00000000 -0.00000000 0.37426049 1.0 Al Al15 1 0.50000000 0.50000000 0.87592541 1.0