# generated using pymatgen data_Na3Hf2(PaH8)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38847964 _cell_length_b 6.46251424 _cell_length_c 6.52557943 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3Hf2(PaH8)3 _chemical_formula_sum 'Na3 Hf2 Pa3 H24' _cell_volume 269.41272738 _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 Na Na0 1 0.24353457 0.00000000 0.49472535 1.0 Na Na1 1 0.75646543 0.00000000 0.49472535 1.0 Na Na2 1 0.00000000 0.50000000 0.25240484 1.0 Hf Hf3 1 0.00000000 0.00000000 0.00134790 1.0 Hf Hf4 1 0.50000000 0.50000000 0.50416848 1.0 Pa Pa5 1 0.00000000 0.50000000 0.73952207 1.0 Pa Pa6 1 0.50000000 0.75389534 0.00772402 1.0 Pa Pa7 1 0.50000000 0.24610466 0.00772402 1.0 H H8 1 0.00000000 0.15535547 0.25023595 1.0 H H9 1 0.50000000 0.23380400 0.67443970 1.0 H H10 1 0.50000000 0.76971056 0.34511575 1.0 H H11 1 0.78874663 0.64851650 0.52872595 1.0 H H12 1 0.21125337 0.64851650 0.52872595 1.0 H H13 1 0.34932614 0.50000000 0.80662464 1.0 H H14 1 0.65067386 0.50000000 0.80662464 1.0 H H15 1 0.29435872 0.00000000 0.14533116 1.0 H H16 1 0.15483175 0.28710551 0.97240931 1.0 H H17 1 0.84516825 0.71289449 0.97240931 1.0 H H18 1 0.31556198 0.00000000 0.85260577 1.0 H H19 1 0.84516825 0.28710551 0.97240931 1.0 H H20 1 0.70564128 0.00000000 0.14533116 1.0 H H21 1 0.68443802 0.00000000 0.85260577 1.0 H H22 1 0.15483175 0.71289449 0.97240931 1.0 H H23 1 0.00000000 0.82867183 0.71647187 1.0 H H24 1 0.00000000 0.17132817 0.71647187 1.0 H H25 1 0.00000000 0.84464453 0.25023595 1.0 H H26 1 0.64708592 0.50000000 0.20573362 1.0 H H27 1 0.35291408 0.50000000 0.20573362 1.0 H H28 1 0.78874663 0.35148350 0.52872595 1.0 H H29 1 0.21125337 0.35148350 0.52872595 1.0 H H30 1 0.50000000 0.76619600 0.67443970 1.0 H H31 1 0.50000000 0.23028944 0.34511575 1.0