# generated using pymatgen data_Ti4V4GaAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38316652 _cell_length_b 6.58500425 _cell_length_c 7.98365445 _cell_angle_alpha 89.65002028 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti4V4GaAs3 _chemical_formula_sum 'Ti4 V4 Ga1 As3' _cell_volume 177.85786011 _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 0.25000000 0.55481866 0.16736600 1.0 Ti Ti1 1 0.75000000 0.44341721 0.83260897 1.0 Ti Ti2 1 0.75000000 0.94763409 0.66273554 1.0 Ti Ti3 1 0.25000000 0.05242545 0.33262296 1.0 V V4 1 0.25000000 0.62366997 0.55731696 1.0 V V5 1 0.75000000 0.37093305 0.44040431 1.0 V V6 1 0.75000000 0.87834039 0.06245638 1.0 V V7 1 0.25000000 0.12838406 0.94236702 1.0 Ga Ga8 1 0.25000000 0.74603263 0.85976837 1.0 As As9 1 0.75000000 0.25659043 0.14055580 1.0 As As10 1 0.75000000 0.75241054 0.36072192 1.0 As As11 1 0.25000000 0.24534351 0.64107776 1.0