# generated using pymatgen data_Mg14ZrCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35188052 _cell_length_b 6.35188001 _cell_length_c 10.02331684 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000267 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg14ZrCu _chemical_formula_sum 'Mg14 Zr1 Cu1' _cell_volume 350.22462938 _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 0.17768617 0.83884259 0.12500000 1.0 Mg Mg1 1 0.16344006 0.83171953 0.62500000 1.0 Mg Mg2 1 0.66115741 0.32231383 0.12500000 1.0 Mg Mg3 1 0.66828047 0.33655994 0.62500000 1.0 Mg Mg4 1 0.66115741 0.83884259 0.12500000 1.0 Mg Mg5 1 0.66828047 0.83171953 0.62500000 1.0 Mg Mg6 1 0.32589727 0.17410273 0.38420134 1.0 Mg Mg7 1 0.32589727 0.17410273 0.86579866 1.0 Mg Mg8 1 0.32589727 0.65179553 0.38420134 1.0 Mg Mg9 1 0.32589727 0.65179553 0.86579866 1.0 Mg Mg10 1 0.84820447 0.17410273 0.38420134 1.0 Mg Mg11 1 0.84820447 0.17410273 0.86579866 1.0 Mg Mg12 1 0.83333300 0.66666700 0.36992626 1.0 Mg Mg13 1 0.83333300 0.66666700 0.88007374 1.0 Zr Zr14 1 0.16666700 0.33333300 0.12500000 1.0 Cu Cu15 1 0.16666700 0.33333300 0.62500000 1.0