# generated using pymatgen
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98978400
_cell_length_b   9.33102000
_cell_length_c   10.44533655
_cell_angle_alpha   64.01902234
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2C2O7
_chemical_formula_sum   'Li4 Fe8 C8 O28'
_cell_volume   524.79924440
_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
  Li  Li0  1  0.55956300  0.24083300  0.49278500  1
  Li  Li1  1  0.05956300  0.25916700  0.50721500  1
  Li  Li2  1  0.94043700  0.74083300  0.49278500  1
  Li  Li3  1  0.44043700  0.75916700  0.50721500  1
  Fe  Fe4  1  0.38484000  0.40381400  0.16185800  1
  Fe  Fe5  1  0.41922600  0.79075300  0.98828700  1
  Fe  Fe6  1  0.11516000  0.90381400  0.16185800  1
  Fe  Fe7  1  0.08077400  0.29075300  0.98828700  1
  Fe  Fe8  1  0.91922600  0.70924700  0.01171300  1
  Fe  Fe9  1  0.88484000  0.09618600  0.83814200  1
  Fe  Fe10  1  0.58077400  0.20924700  0.01171300  1
  Fe  Fe11  1  0.61516000  0.59618600  0.83814200  1
  C  C12  1  0.84342600  0.34250900  0.22569400  1
  C  C13  1  0.26031000  0.57254000  0.33257200  1
  C  C14  1  0.65657400  0.84250900  0.22569400  1
  C  C15  1  0.76031000  0.92746000  0.66742800  1
  C  C16  1  0.23969000  0.07254000  0.33257200  1
  C  C17  1  0.34342600  0.15749100  0.77430600  1
  C  C18  1  0.73969000  0.42746000  0.66742800  1
  C  C19  1  0.15657400  0.65749100  0.77430600  1
  O  O20  1  0.62346100  0.60575600  0.02143000  1
  O  O21  1  0.01651100  0.38762600  0.13997700  1
  O  O22  1  0.30514400  0.20092100  0.34238700  1
  O  O23  1  0.28917600  0.58640100  0.20001400  1
  O  O24  1  0.82695100  0.35933800  0.33900000  1
  O  O25  1  0.87653900  0.10575600  0.02143000  1
  O  O26  1  0.48348900  0.88762600  0.13997700  1
  O  O27  1  0.82405500  0.78184400  0.18276300  1
  O  O28  1  0.79804800  0.05752200  0.56158000  1
  O  O29  1  0.29804800  0.44247800  0.43842000  1
  O  O30  1  0.19485600  0.70092100  0.34238700  1
  O  O31  1  0.32405500  0.71815600  0.81723700  1
  O  O32  1  0.21082400  0.08640100  0.20001400  1
  O  O33  1  0.32695100  0.14066200  0.66100000  1
  O  O34  1  0.67304900  0.85933800  0.33900000  1
  O  O35  1  0.78917600  0.91359900  0.79998600  1
  O  O36  1  0.67594500  0.28184400  0.18276300  1
  O  O37  1  0.80514400  0.29907900  0.65761300  1
  O  O38  1  0.70195200  0.55752200  0.56158000  1
  O  O39  1  0.20195200  0.94247800  0.43842000  1
  O  O40  1  0.17594500  0.21815600  0.81723700  1
  O  O41  1  0.51651100  0.11237400  0.86002300  1
  O  O42  1  0.12346100  0.89424400  0.97857000  1
  O  O43  1  0.17304900  0.64066200  0.66100000  1
  O  O44  1  0.71082400  0.41359900  0.79998600  1
  O  O45  1  0.69485600  0.79907900  0.65761300  1
  O  O46  1  0.98348900  0.61237400  0.86002300  1
  O  O47  1  0.37653900  0.39424400  0.97857000  1
