# generated using pymatgen data_Pa2H5N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88659525 _cell_length_b 6.69719816 _cell_length_c 6.76359359 _cell_angle_alpha 91.22477846 _cell_angle_beta 89.51615387 _cell_angle_gamma 90.02644792 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2H5N _chemical_formula_sum 'Pa8 H20 N4' _cell_volume 311.86057555 _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 Pa Pa0 1 0.00729540 0.00203668 0.01267210 1.0 Pa Pa1 1 0.50979047 0.50305033 0.49806685 1.0 Pa Pa2 1 0.26001451 0.01515239 0.49243185 1.0 Pa Pa3 1 0.76359936 0.98037873 0.49688342 1.0 Pa Pa4 1 0.99563508 0.47882567 0.27201445 1.0 Pa Pa5 1 0.00042659 0.51831534 0.76618889 1.0 Pa Pa6 1 0.49802449 0.75684439 0.02683780 1.0 Pa Pa7 1 0.50101195 0.24741738 0.97026039 1.0 H H8 1 0.20091207 0.65887991 0.52209699 1.0 H H9 1 0.34555848 0.50726871 0.80883853 1.0 H H10 1 0.65190180 0.50724633 0.82344159 1.0 H H11 1 0.30665438 0.00968709 0.13937875 1.0 H H12 1 0.16120804 0.30289463 0.98969712 1.0 H H13 1 0.84684629 0.70153243 0.02086349 1.0 H H14 1 0.29530320 0.99384374 0.84628278 1.0 H H15 1 0.84776958 0.30364986 0.99640518 1.0 H H16 1 0.70333902 0.01350380 0.14658592 1.0 H H17 1 0.71677845 0.97620849 0.85113018 1.0 H H18 1 0.15839745 0.70362256 0.00239922 1.0 H H19 1 0.02166357 0.85726164 0.70595128 1.0 H H20 1 0.99025018 0.16477145 0.70941099 1.0 H H21 1 0.03155585 0.81539207 0.28649684 1.0 H H22 1 0.64263641 0.49954714 0.18105214 1.0 H H23 1 0.33815469 0.51101209 0.19739535 1.0 H H24 1 0.73252689 0.30248855 0.38538862 1.0 H H25 1 0.20119264 0.36160493 0.52590212 1.0 H H26 1 0.49626887 0.77751427 0.69549419 1.0 H H27 1 0.42709141 0.24118357 0.30337569 1.0 N N28 1 0.01654845 0.14983913 0.31107273 1.0 N N29 1 0.51653198 0.18639005 0.63768169 1.0 N N30 1 0.49980273 0.82333711 0.35782500 1.0 N N31 1 0.81530771 0.62929951 0.52047585 1.0