# generated using pymatgen data_Na4Fe2As(CO4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.04868727 _cell_length_b 10.01363345 _cell_length_c 9.84077449 _cell_angle_alpha 60.80388395 _cell_angle_beta 60.44817463 _cell_angle_gamma 58.74794142 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na4Fe2As(CO4)4 _chemical_formula_sum 'Na8 Fe4 As2 C8 O32' _cell_volume 699.67968497 _cell_formula_units_Z 2 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 0.96397900 0.53602100 0.96397900 1.0 Na Na1 1 0.53604000 0.96396000 0.96396000 1.0 Na Na2 1 0.28604000 0.71396000 0.71396000 1.0 Na Na3 1 0.71397900 0.28602100 0.71397900 1.0 Na Na4 1 0.53602100 0.96397900 0.53602100 1.0 Na Na5 1 0.96396000 0.53604000 0.53604000 1.0 Na Na6 1 0.71396000 0.28604000 0.28604000 1.0 Na Na7 1 0.28602100 0.71397900 0.28602100 1.0 Fe Fe8 1 0.12500000 0.12500000 0.12500000 1.0 Fe Fe9 1 0.12500000 0.12500000 0.62500000 1.0 Fe Fe10 1 0.12500000 0.62500000 0.12500000 1.0 Fe Fe11 1 0.62500000 0.12500000 0.12500000 1.0 As As12 1 0.50000000 0.50000000 0.50000000 1.0 As As13 1 0.75000000 0.75000000 0.75000000 1.0 C C14 1 0.91740300 0.91338200 0.90495500 1.0 C C15 1 0.33661800 0.33259700 0.98574100 1.0 C C16 1 0.90495500 0.26425900 0.91740300 1.0 C C17 1 0.26425900 0.90495500 0.91338200 1.0 C C18 1 0.98574100 0.34504500 0.33661800 1.0 C C19 1 0.34504500 0.98574100 0.33259700 1.0 C C20 1 0.91338200 0.91740300 0.26425900 1.0 C C21 1 0.33259700 0.33661800 0.34504500 1.0 O O22 1 0.94758200 0.76896900 0.01407300 1.0 O O23 1 0.28837200 0.58397200 0.56351100 1.0 O O24 1 0.03061300 0.94366900 0.76624200 1.0 O O25 1 0.30633100 0.21938700 0.99052300 1.0 O O26 1 0.76624200 0.25947700 0.03061300 1.0 O O27 1 0.22339900 0.47931600 0.98077800 1.0 O O28 1 0.56351100 0.56414500 0.28837200 1.0 O O29 1 0.58397200 0.28837200 0.56414500 1.0 O O30 1 0.31650700 0.98077800 0.47931600 1.0 O O31 1 0.25947700 0.76624200 0.94366900 1.0 O O32 1 0.48103100 0.30241800 0.98062400 1.0 O O33 1 0.56414500 0.56351100 0.58397200 1.0 O O34 1 0.01407300 0.26937600 0.94758200 1.0 O O35 1 0.26937600 0.01407300 0.76896900 1.0 O O36 1 0.77068400 0.02660100 0.93349300 1.0 O O37 1 0.98077800 0.31650700 0.22339900 1.0 O O38 1 0.26922200 0.93349300 0.02660100 1.0 O O39 1 0.47931600 0.22339900 0.31650700 1.0 O O40 1 0.98062400 0.23592700 0.48103100 1.0 O O41 1 0.23592700 0.98062400 0.30241800 1.0 O O42 1 0.68585500 0.68648900 0.66602800 1.0 O O43 1 0.76896900 0.94758200 0.26937600 1.0 O O44 1 0.99052300 0.48375800 0.30633100 1.0 O O45 1 0.93349300 0.26922200 0.77068400 1.0 O O46 1 0.66602800 0.96162800 0.68585500 1.0 O O47 1 0.68648900 0.68585500 0.96162800 1.0 O O48 1 0.02660100 0.77068400 0.26922200 1.0 O O49 1 0.48375800 0.99052300 0.21938700 1.0 O O50 1 0.94366900 0.03061300 0.25947700 1.0 O O51 1 0.21938700 0.30633100 0.48375800 1.0 O O52 1 0.96162800 0.66602800 0.68648900 1.0 O O53 1 0.30241800 0.48103100 0.23592700 1.0