# generated using pymatgen data_NaHfMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17918800 _cell_length_b 6.45837700 _cell_length_c 11.17666900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfMg6 _chemical_formula_sum 'Na2 Hf2 Mg12' _cell_volume 373.85006288 _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 0.00000000 0.50000000 0.33615600 1.0 Na Na1 1 0.00000000 0.00000000 0.83615600 1.0 Hf Hf2 1 0.50000000 0.50000000 0.15811700 1.0 Hf Hf3 1 0.50000000 0.00000000 0.65811700 1.0 Mg Mg4 1 0.00000000 0.25752900 0.08613000 1.0 Mg Mg5 1 0.00000000 0.74247100 0.08613000 1.0 Mg Mg6 1 0.00000000 0.50000000 0.83384300 1.0 Mg Mg7 1 0.50000000 0.25012600 0.91769900 1.0 Mg Mg8 1 0.50000000 0.74987400 0.91769900 1.0 Mg Mg9 1 0.50000000 0.50000000 0.66422600 1.0 Mg Mg10 1 0.00000000 0.75752900 0.58613000 1.0 Mg Mg11 1 0.00000000 0.24247100 0.58613000 1.0 Mg Mg12 1 0.00000000 0.00000000 0.33384300 1.0 Mg Mg13 1 0.50000000 0.75012600 0.41769900 1.0 Mg Mg14 1 0.50000000 0.24987400 0.41769900 1.0 Mg Mg15 1 0.50000000 0.00000000 0.16422600 1.0