# generated using pymatgen data_Fe(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78512593 _cell_length_b 22.62364172 _cell_length_c 4.78662276 _cell_angle_alpha 83.99033653 _cell_angle_beta 60.00636650 _cell_angle_gamma 83.92127153 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe(CO3)2 _chemical_formula_sum 'Fe4 C8 O24' _cell_volume 445.46032380 _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 Fe Fe0 1 0.12502300 0.62491100 0.12472300 1.0 Fe Fe1 1 0.37502100 0.87462400 0.37555500 1.0 Fe Fe2 1 0.62478500 0.12535300 0.62485000 1.0 Fe Fe3 1 0.87511300 0.37507700 0.87503000 1.0 C C4 1 0.94102300 0.17645000 0.94136500 1.0 C C5 1 0.19126100 0.42616500 0.19156800 1.0 C C6 1 0.44126800 0.67604100 0.44128500 1.0 C C7 1 0.69125200 0.92588700 0.69193600 1.0 C C8 1 0.30863100 0.07421400 0.30829500 1.0 C C9 1 0.55887400 0.32396100 0.55844300 1.0 C C10 1 0.80885300 0.57378500 0.80819600 1.0 C C11 1 0.05894200 0.82351000 0.05890300 1.0 O O12 1 0.55629200 0.07371900 0.34713400 1.0 O O13 1 0.80669300 0.32346300 0.59713600 1.0 O O14 1 0.05653400 0.57329900 0.84709100 1.0 O O15 1 0.30675600 0.82306400 0.09737700 1.0 O O16 1 0.90224600 0.17694100 0.22728200 1.0 O O17 1 0.15258000 0.42665200 0.47739900 1.0 O O18 1 0.40259500 0.67650000 0.72708700 1.0 O O19 1 0.65244400 0.92631800 0.97775800 1.0 O O20 1 0.22694400 0.17694400 0.69377000 1.0 O O21 1 0.47715400 0.42665000 0.94391200 1.0 O O22 1 0.72708500 0.67650200 0.19368800 1.0 O O23 1 0.97711200 0.92631800 0.44436800 1.0 O O24 1 0.02273800 0.07373500 0.55582500 1.0 O O25 1 0.27299800 0.32347600 0.80615000 1.0 O O26 1 0.52287100 0.57331200 0.05575300 1.0 O O27 1 0.77312000 0.82308100 0.30656300 1.0 O O28 1 0.34743300 0.07372600 0.02245100 1.0 O O29 1 0.59750300 0.32347500 0.27262100 1.0 O O30 1 0.84770000 0.57331200 0.52226800 1.0 O O31 1 0.09737900 0.82306500 0.77310800 1.0 O O32 1 0.69325100 0.17695600 0.90258000 1.0 O O33 1 0.94348100 0.42666200 0.15284500 1.0 O O34 1 0.19351800 0.67650700 0.40259000 1.0 O O35 1 0.44352800 0.92634400 0.65309700 1.0