# generated using pymatgen
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87200690
_cell_length_b   4.87200690
_cell_length_c   15.96618900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2C2O7
_chemical_formula_sum   'Li2 Fe4 C4 O14'
_cell_volume   328.20684418
_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
  Li  Li0  1  0.00000000  0.00000000  0.98858100  1
  Li  Li1  1  0.00000000  0.00000000  0.48858100  1
  Fe  Fe2  1  0.33333300  0.66666700  0.86528700  1
  Fe  Fe3  1  0.33333300  0.66666700  0.63458500  1
  Fe  Fe4  1  0.66666700  0.33333300  0.36528700  1
  Fe  Fe5  1  0.66666700  0.33333300  0.13458500  1
  C  C6  1  0.66666700  0.33333300  0.91796500  1
  C  C7  1  0.66666700  0.33333300  0.58687000  1
  C  C8  1  0.33333300  0.66666700  0.41796500  1
  C  C9  1  0.33333300  0.66666700  0.08687000  1
  O  O10  1  0.91777500  0.60014600  0.58616200  1
  O  O11  1  0.60014600  0.91777500  0.08616200  1
  O  O12  1  0.68278100  0.60534200  0.91655000  1
  O  O13  1  0.60534200  0.68278100  0.41655000  1
  O  O14  1  0.92256100  0.31721900  0.91655000  1
  O  O15  1  0.31721900  0.92256100  0.41655000  1
  O  O16  1  0.66666700  0.33333300  0.24370300  1
  O  O17  1  0.33333300  0.66666700  0.74370300  1
  O  O18  1  0.68237100  0.08222500  0.58616200  1
  O  O19  1  0.08222500  0.68237100  0.08616200  1
  O  O20  1  0.39985400  0.31762900  0.58616200  1
  O  O21  1  0.31762900  0.39985400  0.08616200  1
  O  O22  1  0.39465800  0.07743900  0.91655000  1
  O  O23  1  0.07743900  0.39465800  0.41655000  1
