# generated using pymatgen
data_LiFe2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67565500
_cell_length_b   7.35465800
_cell_length_c   8.50575588
_cell_angle_alpha   71.29770176
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(CO3)4
_chemical_formula_sum   'Li2 Fe4 C8 O24'
_cell_volume   573.31892260
_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  0.91385700  0.25582700  0.10605300  1
  Li  Li1  1  0.41385700  0.74417300  0.89394700  1
  Fe  Fe2  1  0.34573500  0.28986800  0.18424700  1
  Fe  Fe3  1  0.84573500  0.71013200  0.81575300  1
  Fe  Fe4  1  0.14974100  0.81951100  0.67046800  1
  Fe  Fe5  1  0.64974100  0.18048900  0.32953200  1
  C  C6  1  0.11501900  0.51611800  0.99983100  1
  C  C7  1  0.61501900  0.48388200  0.00016900  1
  C  C8  1  0.48540400  0.50512600  0.38328900  1
  C  C9  1  0.98540400  0.49487400  0.61671100  1
  C  C10  1  0.99681100  0.01320300  0.89073900  1
  C  C11  1  0.49681100  0.98679700  0.10926100  1
  C  C12  1  0.40180800  0.00019500  0.52070100  1
  C  C13  1  0.90180800  0.99980500  0.47929900  1
  O  O14  1  0.15848400  0.37240800  0.12322600  1
  O  O15  1  0.48207200  0.46601500  0.01694900  1
  O  O16  1  0.70133400  0.36942700  0.09867600  1
  O  O17  1  0.20133400  0.63057300  0.90132400  1
  O  O18  1  0.98207200  0.53398500  0.98305100  1
  O  O19  1  0.97666800  0.36573300  0.54881800  1
  O  O20  1  0.65848400  0.62759200  0.87677400  1
  O  O21  1  0.60093800  0.41460200  0.38607600  1
  O  O22  1  0.37477100  0.46856600  0.31211100  1
  O  O23  1  0.87477100  0.53143400  0.68788900  1
  O  O24  1  0.10093800  0.58539800  0.61392400  1
  O  O25  1  0.50814800  0.86293200  0.03827400  1
  O  O26  1  0.47666800  0.63426700  0.45118200  1
  O  O27  1  0.88553400  0.90500900  0.91429000  1
  O  O28  1  0.09443400  0.98888300  0.79240200  1
  O  O29  1  0.59443400  0.01111700  0.20759800  1
  O  O30  1  0.38553400  0.09499100  0.08571000  1
  O  O31  1  0.34828700  0.87506100  0.65325200  1
  O  O32  1  0.00814800  0.13706800  0.96172600  1
  O  O33  1  0.03115200  0.96468300  0.47991700  1
  O  O34  1  0.81908700  0.91863500  0.60002700  1
  O  O35  1  0.31908700  0.08136500  0.39997300  1
  O  O36  1  0.53115200  0.03531700  0.52008300  1
  O  O37  1  0.84828700  0.12493900  0.34674800  1
