# generated using pymatgen data_TaTiBe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56785748 _cell_length_b 4.56785748 _cell_length_c 4.56785748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTiBe4 _chemical_formula_sum 'Ta1 Ti1 Be4' _cell_volume 67.39421792 _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 Ta Ta0 1 0.25000000 0.25000000 0.25000000 1.0 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1.0 Be Be2 1 0.62485600 0.62485600 0.12543300 1.0 Be Be3 1 0.62485600 0.12543300 0.62485600 1.0 Be Be4 1 0.12543300 0.62485600 0.62485600 1.0 Be Be5 1 0.62485600 0.62485600 0.62485600 1.0