# generated using pymatgen data_NaHfH5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.24724600 _cell_length_b 5.16022142 _cell_length_c 14.69562500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaHfH5 _chemical_formula_sum 'Na4 Hf4 H20' _cell_volume 246.24736288 _cell_formula_units_Z 4 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 0.73432477 0.50145112 0.80067388 1.0 Na Na1 1 0.23432477 0.99854888 0.19932612 1.0 Na Na2 1 0.76567523 0.49854888 0.30067388 1.0 Na Na3 1 0.26567523 0.00145112 0.69932612 1.0 Hf Hf4 1 0.23164336 0.00094785 0.92704264 1.0 Hf Hf5 1 0.73164336 0.49905215 0.07295736 1.0 Hf Hf6 1 0.26835664 0.99905215 0.42704264 1.0 Hf Hf7 1 0.76835664 0.50094785 0.57295736 1.0 H H8 1 0.73067678 0.75690976 0.95292775 1.0 H H9 1 0.23067678 0.74309024 0.04707225 1.0 H H10 1 0.76932322 0.24309024 0.45292775 1.0 H H11 1 0.26932322 0.25690976 0.54707225 1.0 H H12 1 0.23263340 0.74636811 0.83628754 1.0 H H13 1 0.73263340 0.75363189 0.16371246 1.0 H H14 1 0.26736660 0.25363189 0.33628754 1.0 H H15 1 0.76736660 0.24636811 0.66371246 1.0 H H16 1 0.73267041 0.24345548 0.16333583 1.0 H H17 1 0.23267041 0.25654452 0.83666417 1.0 H H18 1 0.76732959 0.75654452 0.66333583 1.0 H H19 1 0.26732959 0.74345548 0.33666417 1.0 H H20 1 0.73097641 0.00140229 0.85055548 1.0 H H21 1 0.23097641 0.49859771 0.14944452 1.0 H H22 1 0.76902359 0.99859771 0.35055548 1.0 H H23 1 0.26902359 0.50140229 0.64944452 1.0 H H24 1 0.23067458 0.25484136 0.04719772 1.0 H H25 1 0.73067458 0.24515864 0.95280228 1.0 H H26 1 0.26932542 0.74515864 0.54719772 1.0 H H27 1 0.76932542 0.75484136 0.45280228 1.0