# generated using pymatgen
data_Li3Fe2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54726400
_cell_length_b   6.17499135
_cell_length_c   8.49120388
_cell_angle_alpha   84.71701622
_cell_angle_beta   107.01509508
_cell_angle_gamma   116.46652000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2(CO3)4
_chemical_formula_sum   'Li3 Fe2 C4 O12'
_cell_volume   248.72952457
_cell_formula_units_Z   1
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
  Li  Li0  1  0.46414700  0.91802700  0.33458600  1
  Li  Li1  1  0.21058200  0.07488900  0.65217400  1
  Li  Li2  1  0.29610000  0.56025700  0.85902700  1
  Fe  Fe3  1  0.67343000  0.49473300  0.49607900  1
  Fe  Fe4  1  0.90650700  0.01945700  0.00485500  1
  C  C5  1  0.36640700  0.42065900  0.20890600  1
  C  C6  1  0.91494100  0.91719900  0.29512800  1
  C  C7  1  0.69608700  0.07817000  0.70508900  1
  C  C8  1  0.73601300  0.58881800  0.79649000  1
  O  O9  1  0.19433800  0.35610200  0.05640200  1
  O  O10  1  0.58968800  0.38872800  0.25122400  1
  O  O11  1  0.11161400  0.93457800  0.23497600  1
  O  O12  1  0.70920900  0.94990800  0.18905500  1
  O  O13  1  0.91749500  0.87462700  0.44657600  1
  O  O14  1  0.30849000  0.51320400  0.31526700  1
  O  O15  1  0.58647800  0.11333200  0.55594000  1
  O  O16  1  0.94563900  0.59812500  0.75163900  1
  O  O17  1  0.55496300  0.02231500  0.81490100  1
  O  O18  1  0.95100800  0.09847100  0.76082100  1
  O  O19  1  0.48687800  0.49299300  0.69302500  1
  O  O20  1  0.76570700  0.67509200  0.93808700  1
