# generated using pymatgen
data_Li2FeCO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91453800
_cell_length_b   9.34087200
_cell_length_c   12.29231600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeCO5
_chemical_formula_sum   'Li8 Fe4 C4 O20'
_cell_volume   334.65002296
_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  0.00000000  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Li  Li2  1  0.00000000  0.00759500  0.77987200  1
  Li  Li3  1  0.00000000  0.49240500  0.27987200  1
  Li  Li4  1  0.00000000  0.50000000  0.00000000  1
  Li  Li5  1  0.50000000  0.50000000  0.50000000  1
  Li  Li6  1  0.00000000  0.50759500  0.72012800  1
  Li  Li7  1  0.00000000  0.99240500  0.22012800  1
  Fe  Fe8  1  0.50000000  0.24551200  0.61333800  1
  Fe  Fe9  1  0.50000000  0.25448800  0.11333800  1
  Fe  Fe10  1  0.50000000  0.74551200  0.88666200  1
  Fe  Fe11  1  0.50000000  0.75448800  0.38666200  1
  C  C12  1  0.50000000  0.22901200  0.36124400  1
  C  C13  1  0.50000000  0.27098800  0.86124400  1
  C  C14  1  0.50000000  0.72901200  0.13875600  1
  C  C15  1  0.50000000  0.77098800  0.63875600  1
  O  O16  1  0.00000000  0.11991900  0.64222900  1
  O  O17  1  0.00000000  0.12581800  0.08046800  1
  O  O18  1  0.50000000  0.13441000  0.86101100  1
  O  O19  1  0.50000000  0.15575100  0.27031300  1
  O  O20  1  0.50000000  0.15506800  0.45182000  1
  O  O21  1  0.50000000  0.34493200  0.95182000  1
  O  O22  1  0.50000000  0.34424900  0.77031300  1
  O  O23  1  0.50000000  0.36559000  0.36101100  1
  O  O24  1  0.00000000  0.37418200  0.58046800  1
  O  O25  1  0.00000000  0.38008100  0.14222900  1
  O  O26  1  0.00000000  0.61991900  0.85777100  1
  O  O27  1  0.00000000  0.62581800  0.41953200  1
  O  O28  1  0.50000000  0.63441000  0.63898900  1
  O  O29  1  0.50000000  0.65575100  0.22968700  1
  O  O30  1  0.50000000  0.65506800  0.04818000  1
  O  O31  1  0.50000000  0.84493200  0.54818000  1
  O  O32  1  0.50000000  0.84424900  0.72968700  1
  O  O33  1  0.50000000  0.86559000  0.13898900  1
  O  O34  1  0.00000000  0.87418200  0.91953200  1
  O  O35  1  0.00000000  0.88008100  0.35777100  1
