# generated using pymatgen data_Mg14ZrTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40842164 _cell_length_b 6.40842111 _cell_length_c 10.11183052 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000272 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14ZrTi _chemical_formula_sum 'Mg14 Zr1 Ti1' _cell_volume 359.63547332 _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 Mg Mg0 1 0.17117738 0.83558819 0.12500000 1.0 Mg Mg1 1 0.16842596 0.83421248 0.62500000 1.0 Mg Mg2 1 0.66441181 0.32882262 0.12500000 1.0 Mg Mg3 1 0.66578752 0.33157404 0.62500000 1.0 Mg Mg4 1 0.66441181 0.83558819 0.12500000 1.0 Mg Mg5 1 0.66578752 0.83421248 0.62500000 1.0 Mg Mg6 1 0.33051288 0.16948712 0.37666218 1.0 Mg Mg7 1 0.33051288 0.16948712 0.87333782 1.0 Mg Mg8 1 0.33051288 0.66102676 0.37666218 1.0 Mg Mg9 1 0.33051288 0.66102676 0.87333782 1.0 Mg Mg10 1 0.83897324 0.16948712 0.37666218 1.0 Mg Mg11 1 0.83897324 0.16948712 0.87333782 1.0 Mg Mg12 1 0.83333300 0.66666700 0.37389911 1.0 Mg Mg13 1 0.83333300 0.66666700 0.87610089 1.0 Zr Zr14 1 0.16666700 0.33333300 0.12500000 1.0 Ti Ti15 1 0.16666700 0.33333300 0.62500000 1.0