# generated using pymatgen data_Ti6BeAsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75684411 _cell_length_b 6.75684442 _cell_length_c 3.50402013 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999850 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti6BeAsSe _chemical_formula_sum 'Ti6 Be1 As1 Se1' _cell_volume 138.54314727 _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 0.40248892 0.99659964 0.00000000 1.0 Ti Ti1 1 0.00340036 0.40588828 0.00000000 1.0 Ti Ti2 1 0.59411072 0.59751208 0.00000000 1.0 Ti Ti3 1 0.76049650 0.99850747 0.49999900 1.0 Ti Ti4 1 0.23800997 0.23950250 0.49999900 1.0 Ti Ti5 1 0.00149253 0.76199003 0.49999900 1.0 Be Be6 1 0.00000000 0.00000000 0.00000000 1.0 As As7 1 0.33333400 0.66666700 0.49999900 1.0 Se Se8 1 0.66666700 0.33333300 0.49999900 1.0