# generated using pymatgen
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33042485
_cell_length_b   8.33042485
_cell_length_c   8.06329287
_cell_angle_alpha   89.46621668
_cell_angle_beta   89.46621668
_cell_angle_gamma   60.90558772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2C2O7
_chemical_formula_sum   'Li3 Fe6 C6 O21'
_cell_volume   488.92605281
_cell_formula_units_Z   3
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  0.72307000  0.27693000  0.50000000  1
  Li  Li1  1  0.99659900  0.64415000  0.49342300  1
  Li  Li2  1  0.35585000  0.00340100  0.50657700  1
  Fe  Fe3  1  0.67229000  0.66208400  0.80612700  1
  Fe  Fe4  1  0.33791600  0.32771000  0.19387300  1
  Fe  Fe5  1  0.65977200  0.65932500  0.26113200  1
  Fe  Fe6  1  0.34067500  0.34022800  0.73886800  1
  Fe  Fe7  1  0.99783300  0.00554600  0.27272600  1
  Fe  Fe8  1  0.99445400  0.00216700  0.72727400  1
  C  C9  1  0.00392400  0.34047700  0.29624300  1
  C  C10  1  0.65952300  0.99607600  0.70375700  1
  C  C11  1  0.65855900  0.99619900  0.29582500  1
  C  C12  1  0.00380100  0.34144100  0.70417500  1
  C  C13  1  0.33279100  0.66439300  0.29569300  1
  C  C14  1  0.33560700  0.66720900  0.70430700  1
  O  O15  1  0.96763700  0.03236300  0.50000000  1
  O  O16  1  0.91953400  0.26549200  0.77710800  1
  O  O17  1  0.73450800  0.08046600  0.22289200  1
  O  O18  1  0.83788300  0.40356400  0.35256000  1
  O  O19  1  0.59643600  0.16211700  0.64744000  1
  O  O20  1  0.91747500  0.52084100  0.68778900  1
  O  O21  1  0.47915900  0.08252500  0.31221100  1
  O  O22  1  0.67638900  0.66177700  0.02357400  1
  O  O23  1  0.33822300  0.32361100  0.97642600  1
  O  O24  1  0.16907300  0.24743700  0.64617000  1
  O  O25  1  0.75256300  0.83092700  0.35383000  1
  O  O26  1  0.51355000  0.56601500  0.70563900  1
  O  O27  1  0.43398500  0.48645000  0.29436100  1
  O  O28  1  0.81795100  0.91026400  0.77391200  1
  O  O29  1  0.08973600  0.18204900  0.22608800  1
  O  O30  1  0.56247700  0.91266100  0.69031500  1
  O  O31  1  0.08733900  0.43752300  0.30968500  1
  O  O32  1  0.39949400  0.76488600  0.35425300  1
  O  O33  1  0.23511400  0.60050600  0.64574700  1
  O  O34  1  0.16869800  0.73902400  0.23698300  1
  O  O35  1  0.26097600  0.83130200  0.76301700  1
