# generated using pymatgen data_Na3FeSe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13673184 _cell_length_b 7.36276854 _cell_length_c 14.75644424 _cell_angle_alpha 61.11689827 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na3FeSe3 _chemical_formula_sum 'Na12 Fe4 Se12' _cell_volume 678.94013792 _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 0.01862250 0.12604210 0.59267494 1.0 Na Na1 1 0.51862250 0.87395790 0.90732506 1.0 Na Na2 1 0.48137750 0.12604210 0.09267494 1.0 Na Na3 1 0.98137750 0.87395790 0.40732506 1.0 Na Na4 1 0.00241578 0.49538084 0.27700055 1.0 Na Na5 1 0.50241578 0.50461916 0.22299945 1.0 Na Na6 1 0.99758422 0.50461916 0.72299945 1.0 Na Na7 1 0.51845035 0.04907669 0.61432397 1.0 Na Na8 1 0.98154965 0.04907669 0.11432397 1.0 Na Na9 1 0.48154965 0.95092331 0.38567603 1.0 Na Na10 1 0.01845035 0.95092331 0.88567603 1.0 Na Na11 1 0.49758422 0.49538084 0.77700055 1.0 Fe Fe12 1 0.62135184 0.49912244 0.42493251 1.0 Fe Fe13 1 0.37864816 0.50087756 0.57506749 1.0 Fe Fe14 1 0.12135184 0.50087756 0.07506749 1.0 Fe Fe15 1 0.87864816 0.49912244 0.92493251 1.0 Se Se16 1 0.21741160 0.20011120 0.22726148 1.0 Se Se17 1 0.28511594 0.48940786 0.42363518 1.0 Se Se18 1 0.21488406 0.48940786 0.92363518 1.0 Se Se19 1 0.71488406 0.51059214 0.57636482 1.0 Se Se20 1 0.78511594 0.51059214 0.07636482 1.0 Se Se21 1 0.71741160 0.79988880 0.27273852 1.0 Se Se22 1 0.78258840 0.79988880 0.77273852 1.0 Se Se23 1 0.28258840 0.20011120 0.72726148 1.0 Se Se24 1 0.74360935 0.19963677 0.42675582 1.0 Se Se25 1 0.24360935 0.80036323 0.07324418 1.0 Se Se26 1 0.25639065 0.80036323 0.57324418 1.0 Se Se27 1 0.75639065 0.19963677 0.92675582 1.0