# generated using pymatgen data_Ti4V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.59504028 _cell_length_b 11.48284669 _cell_length_c 2.76706371 _cell_angle_alpha 85.42622500 _cell_angle_beta 80.81220416 _cell_angle_gamma 13.76157084 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4V _chemical_formula_sum 'Ti4 V1' _cell_volume 81.94164320 _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 0.40878900 0.40878900 0.59121100 1.0 Ti Ti1 1 0.80060600 0.80060600 0.19939400 1.0 Ti Ti2 1 0.19939400 0.19939400 0.80060600 1.0 Ti Ti3 1 0.59121100 0.59121100 0.40878900 1.0 V V4 1 0.00000000 0.00000000 0.00000000 1.0