# generated using pymatgen data_NaCe4I7N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.18002698 _cell_length_b 11.92581390 _cell_length_c 14.33055019 _cell_angle_alpha 89.99324038 _cell_angle_beta 89.82573172 _cell_angle_gamma 90.01163463 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCe4I7N2 _chemical_formula_sum 'Na4 Ce16 I28 N8' _cell_volume 1910.69656666 _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 0.04728605 0.24973968 0.90644052 1.0 Na Na1 1 0.95262388 0.74973838 0.09357874 1.0 Na Na2 1 0.54687122 0.74975363 0.59341250 1.0 Na Na3 1 0.45294737 0.24974099 0.40659807 1.0 Ce Ce4 1 0.12050054 0.31310936 0.58714833 1.0 Ce Ce5 1 0.37930732 0.31331954 0.08719076 1.0 Ce Ce6 1 0.87900994 0.81369414 0.41292346 1.0 Ce Ce7 1 0.62320714 0.07719814 0.08517339 1.0 Ce Ce8 1 0.12401089 0.57732333 0.41444785 1.0 Ce Ce9 1 0.91358957 0.31928917 0.39876120 1.0 Ce Ce10 1 0.58584838 0.31979574 0.89869097 1.0 Ce Ce11 1 0.08582582 0.81982614 0.60130042 1.0 Ce Ce12 1 0.87633605 0.07724146 0.58560859 1.0 Ce Ce13 1 0.39550878 0.05658187 0.91228034 1.0 Ce Ce14 1 0.37703030 0.57752612 0.91495278 1.0 Ce Ce15 1 0.89557195 0.55673999 0.58758487 1.0 Ce Ce16 1 0.10428206 0.05672355 0.41226958 1.0 Ce Ce17 1 0.60484417 0.55687252 0.08785624 1.0 Ce Ce18 1 0.62097136 0.81326652 0.91267084 1.0 Ce Ce19 1 0.41435365 0.81970908 0.10141279 1.0 I I20 1 0.09975762 0.82975590 0.26482780 1.0 I I21 1 0.31605043 0.29844958 0.79868484 1.0 I I22 1 0.31189149 0.78890348 0.47073707 1.0 I I23 1 0.86995160 0.08732697 0.27519986 1.0 I I24 1 0.34893707 0.45801294 0.51808041 1.0 I I25 1 0.31766128 0.11018159 0.55188002 1.0 I I26 1 0.59937313 0.32968032 0.23503265 1.0 I I27 1 0.81556610 0.79853811 0.70117015 1.0 I I28 1 0.57381803 0.53691044 0.75053051 1.0 I I29 1 0.18863126 0.78864894 0.97111434 1.0 I I30 1 0.18168618 0.11048303 0.05217976 1.0 I I31 1 0.12985991 0.58765233 0.72459973 1.0 I I32 1 0.81834495 0.61047723 0.94774395 1.0 I I33 1 0.15146577 0.45807876 0.01831140 1.0 I I34 1 0.40071445 0.82969137 0.76504684 1.0 I I35 1 0.18438627 0.29831410 0.29875640 1.0 I I36 1 0.36934856 0.58725819 0.22509148 1.0 I I37 1 0.63073722 0.08733926 0.77489682 1.0 I I38 1 0.84861110 0.95808915 0.98163525 1.0 I I39 1 0.92678870 0.53663274 0.25078769 1.0 I I40 1 0.68229255 0.61041025 0.44816656 1.0 I I41 1 0.65092490 0.95825726 0.48206095 1.0 I I42 1 0.68805141 0.28863720 0.52938766 1.0 I I43 1 0.42616292 0.03669577 0.24932728 1.0 I I44 1 0.68395946 0.79839345 0.20138095 1.0 I I45 1 0.90003776 0.32975482 0.73513910 1.0 I I46 1 0.81154187 0.28878151 0.02898983 1.0 I I47 1 0.07323004 0.03682732 0.74928125 1.0 N N48 1 0.00342106 0.19126375 0.49711803 1.0 N N49 1 0.98708934 0.94251149 0.50353307 1.0 N N50 1 0.99647469 0.69132807 0.50260628 1.0 N N51 1 0.51277090 0.94225363 0.00324945 1.0 N N52 1 0.48754107 0.44255184 0.99680051 1.0 N N53 1 0.49630903 0.19127873 0.99703738 1.0 N N54 1 0.01266184 0.44234254 0.49625220 1.0 N N55 1 0.50402359 0.69145861 0.00306025 1.0