# generated using pymatgen data_NaMg6Zr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16868900 _cell_length_b 6.49190800 _cell_length_c 11.23846200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMg6Zr _chemical_formula_sum 'Na2 Mg12 Zr2' _cell_volume 377.10269793 _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 Na Na0 1 0.50000000 0.50000000 0.16363800 1.0 Na Na1 1 0.50000000 0.00000000 0.66363800 1.0 Mg Mg2 1 0.00000000 0.24988400 0.08189600 1.0 Mg Mg3 1 0.00000000 0.75011600 0.08189600 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83586300 1.0 Mg Mg5 1 0.50000000 0.24312100 0.91405700 1.0 Mg Mg6 1 0.50000000 0.75687900 0.91405700 1.0 Mg Mg7 1 0.50000000 0.50000000 0.66617200 1.0 Mg Mg8 1 0.00000000 0.74988400 0.58189600 1.0 Mg Mg9 1 0.00000000 0.25011600 0.58189600 1.0 Mg Mg10 1 0.00000000 0.00000000 0.33586300 1.0 Mg Mg11 1 0.50000000 0.74312100 0.41405700 1.0 Mg Mg12 1 0.50000000 0.25687900 0.41405700 1.0 Mg Mg13 1 0.50000000 0.00000000 0.16617200 1.0 Zr Zr14 1 0.00000000 0.50000000 0.34242000 1.0 Zr Zr15 1 0.00000000 0.00000000 0.84242000 1.0