# generated using pymatgen
data_LiFe2C2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98121200
_cell_length_b   7.71876200
_cell_length_c   11.91387825
_cell_angle_alpha   68.41552720
_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   682.48764421
_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  0.73455100  0.48954900  0.90340100  1
  Li  Li1  1  0.23455100  0.51045100  0.59659900  1
  Li  Li2  1  0.76544900  0.48954900  0.40340100  1
  Li  Li3  1  0.26544900  0.51045100  0.09659900  1
  Fe  Fe4  1  0.59977700  0.78087200  0.61364800  1
  Fe  Fe5  1  0.61157200  0.33610900  0.14508800  1
  Fe  Fe6  1  0.88842800  0.33610900  0.64508800  1
  Fe  Fe7  1  0.09977700  0.21912800  0.88635200  1
  Fe  Fe8  1  0.90022300  0.78087200  0.11364800  1
  Fe  Fe9  1  0.11157200  0.66389100  0.35491200  1
  Fe  Fe10  1  0.38842800  0.66389100  0.85491200  1
  Fe  Fe11  1  0.40022300  0.21912800  0.38635200  1
  C  C12  1  0.89106100  0.73807200  0.53707900  1
  C  C13  1  0.39106100  0.26192800  0.96292100  1
  C  C14  1  0.91279000  0.17199900  0.08732000  1
  C  C15  1  0.41279000  0.82800100  0.41268000  1
  C  C16  1  0.58721000  0.17199900  0.58732000  1
  C  C17  1  0.08721000  0.82800100  0.91268000  1
  C  C18  1  0.60893900  0.73807200  0.03707900  1
  C  C19  1  0.10893900  0.26192800  0.46292100  1
  O  O20  1  0.83483800  0.86286600  0.57574800  1
  O  O21  1  0.58381000  0.62356900  0.77213400  1
  O  O22  1  0.41860500  0.70536500  0.52445000  1
  O  O23  1  0.77948400  0.60786000  0.53812700  1
  O  O24  1  0.27948400  0.39214000  0.96187300  1
  O  O25  1  0.82867500  0.20280300  0.16868500  1
  O  O26  1  0.91860500  0.29463500  0.97555000  1
  O  O27  1  0.08381000  0.37643100  0.72786600  1
  O  O28  1  0.54178900  0.26595200  0.99751900  1
  O  O29  1  0.50143700  0.97935600  0.38919700  1
  O  O30  1  0.00143700  0.02064400  0.11080300  1
  O  O31  1  0.33483800  0.13713400  0.92425200  1
  O  O32  1  0.67132500  0.20280300  0.66868500  1
  O  O33  1  0.04178900  0.73404800  0.50248100  1
  O  O34  1  0.95821100  0.26595200  0.49751900  1
  O  O35  1  0.32867500  0.79719700  0.33131500  1
  O  O36  1  0.66516200  0.86286600  0.07574800  1
  O  O37  1  0.99856300  0.97935600  0.88919700  1
  O  O38  1  0.49856300  0.02064400  0.61080300  1
  O  O39  1  0.45821100  0.73404800  0.00248100  1
  O  O40  1  0.91619000  0.62356900  0.27213400  1
  O  O41  1  0.08139500  0.70536500  0.02445000  1
  O  O42  1  0.17132500  0.79719700  0.83131500  1
  O  O43  1  0.72051600  0.60786000  0.03812700  1
  O  O44  1  0.22051600  0.39214000  0.46187300  1
  O  O45  1  0.58139500  0.29463500  0.47555000  1
  O  O46  1  0.41619000  0.37643100  0.22786600  1
  O  O47  1  0.16516200  0.13713400  0.42425200  1
