# generated using pymatgen data_Mg6TiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11029300 _cell_length_b 6.50015300 _cell_length_c 10.86937300 _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 361.05542341 _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 0.00000000 0.74102200 0.57968200 1.0 Mg Mg1 1 0.00000000 0.25897800 0.57968200 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33527800 1.0 Mg Mg3 1 0.50000000 0.74582200 0.41570600 1.0 Mg Mg4 1 0.50000000 0.25417800 0.41570600 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16652200 1.0 Mg Mg6 1 0.00000000 0.24102200 0.07968200 1.0 Mg Mg7 1 0.00000000 0.75897800 0.07968200 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83527800 1.0 Mg Mg9 1 0.50000000 0.24582200 0.91570600 1.0 Mg Mg10 1 0.50000000 0.75417800 0.91570600 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66652200 1.0 Ti Ti12 1 0.00000000 0.00000000 0.83439000 1.0 Ti Ti13 1 0.00000000 0.50000000 0.33439000 1.0 Bi Bi14 1 0.50000000 0.00000000 0.67303200 1.0 Bi Bi15 1 0.50000000 0.50000000 0.17303200 1.0