# generated using pymatgen data_Mg6TiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33898900 _cell_length_b 6.11951500 _cell_length_c 11.17327600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6TiBi _chemical_formula_sum 'Mg12 Ti2 Bi2' _cell_volume 365.05353348 _cell_formula_units_Z 2 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 Mg Mg0 1 0.50000000 0.24829700 0.41673400 1.0 Mg Mg1 1 0.50000000 0.75170300 0.41673400 1.0 Mg Mg2 1 0.00000000 0.76027900 0.08235000 1.0 Mg Mg3 1 0.00000000 0.23972100 0.08235000 1.0 Mg Mg4 1 0.00000000 0.00000000 0.32954500 1.0 Mg Mg5 1 0.00000000 0.50000000 0.33763500 1.0 Mg Mg6 1 0.50000000 0.74829700 0.91673400 1.0 Mg Mg7 1 0.50000000 0.25170300 0.91673400 1.0 Mg Mg8 1 0.00000000 0.26027900 0.58235000 1.0 Mg Mg9 1 0.00000000 0.73972100 0.58235000 1.0 Mg Mg10 1 0.00000000 0.50000000 0.82954500 1.0 Mg Mg11 1 0.00000000 0.00000000 0.83763500 1.0 Ti Ti12 1 0.50000000 0.00000000 0.16711400 1.0 Ti Ti13 1 0.50000000 0.50000000 0.66711400 1.0 Bi Bi14 1 0.50000000 0.50000000 0.16753400 1.0 Bi Bi15 1 0.50000000 0.00000000 0.66753400 1.0