# generated using pymatgen data_Mg6ZrTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00034300 _cell_length_b 6.31092700 _cell_length_c 11.17378100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrTi _chemical_formula_sum 'Mg12 Zr2 Ti2' _cell_volume 352.60876833 _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 0.25907100 0.08023400 1.0 Mg Mg1 1 0.00000000 0.74092900 0.08023400 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33395200 1.0 Mg Mg3 1 0.50000000 0.74446900 0.41901200 1.0 Mg Mg4 1 0.50000000 0.25553100 0.41901200 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16706100 1.0 Mg Mg6 1 0.00000000 0.75907100 0.58023400 1.0 Mg Mg7 1 0.00000000 0.24092900 0.58023400 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83395200 1.0 Mg Mg9 1 0.50000000 0.24446900 0.91901200 1.0 Mg Mg10 1 0.50000000 0.75553100 0.91901200 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66706100 1.0 Zr Zr12 1 0.00000000 0.50000000 0.32154100 1.0 Zr Zr13 1 0.00000000 0.00000000 0.82154100 1.0 Ti Ti14 1 0.50000000 0.50000000 0.17895400 1.0 Ti Ti15 1 0.50000000 0.00000000 0.67895400 1.0