# generated using pymatgen
data_Li3Fe(CO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98093026
_cell_length_b   5.98093026
_cell_length_c   10.00275900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.38044987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe(CO3)3
_chemical_formula_sum   'Li6 Fe2 C6 O18'
_cell_volume   344.99919776
_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  0.08728000  0.08728000  0.00000000  1
  Li  Li1  1  0.35081600  0.39386600  0.25000000  1
  Li  Li2  1  0.19550500  0.75192300  0.25000000  1
  Li  Li3  1  0.08728000  0.08728000  0.50000000  1
  Li  Li4  1  0.75192300  0.19550500  0.75000000  1
  Li  Li5  1  0.39386600  0.35081600  0.75000000  1
  Fe  Fe6  1  0.68830800  0.15232700  0.25000000  1
  Fe  Fe7  1  0.15232700  0.68830800  0.75000000  1
  C  C8  1  0.55994300  0.15323800  0.01125800  1
  C  C9  1  0.74445700  0.73519900  0.25000000  1
  C  C10  1  0.55994300  0.15323800  0.48874200  1
  C  C11  1  0.15323800  0.55994300  0.51125800  1
  C  C12  1  0.73519900  0.74445700  0.75000000  1
  C  C13  1  0.15323800  0.55994300  0.98874200  1
  O  O14  1  0.76392100  0.13693700  0.05230000  1
  O  O15  1  0.41331400  0.15488500  0.10951300  1
  O  O16  1  0.16525700  0.50962200  0.11044100  1
  O  O17  1  0.73262700  0.51772900  0.25000000  1
  O  O18  1  0.93643100  0.90018000  0.25000000  1
  O  O19  1  0.55262400  0.80153200  0.25000000  1
  O  O20  1  0.16525700  0.50962200  0.38955900  1
  O  O21  1  0.41331400  0.15488500  0.39048700  1
  O  O22  1  0.76392100  0.13693700  0.44770000  1
  O  O23  1  0.13693700  0.76392100  0.55230000  1
  O  O24  1  0.15488500  0.41331400  0.60951300  1
  O  O25  1  0.50962200  0.16525700  0.61044100  1
  O  O26  1  0.80153200  0.55262400  0.75000000  1
  O  O27  1  0.51772900  0.73262700  0.75000000  1
  O  O28  1  0.90018000  0.93643100  0.75000000  1
  O  O29  1  0.50962200  0.16525700  0.88955900  1
  O  O30  1  0.15488500  0.41331400  0.89048700  1
  O  O31  1  0.13693700  0.76392100  0.94770000  1
