# generated using pymatgen
data_LiFe2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45466866
_cell_length_b   9.96913518
_cell_length_c   10.02666228
_cell_angle_alpha   102.61751542
_cell_angle_beta   95.23887407
_cell_angle_gamma   84.54737829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(CO3)4
_chemical_formula_sum   'Li2 Fe4 C8 O24'
_cell_volume   528.25954490
_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  0.40769600  0.35758900  0.17844200  1
  Li  Li1  1  0.91339100  0.85461800  0.67950600  1
  Fe  Fe2  1  0.35921400  0.01054500  0.50752200  1
  Fe  Fe3  1  0.60185000  0.48575400  0.48731800  1
  Fe  Fe4  1  0.84373800  0.51191100  0.00583900  1
  Fe  Fe5  1  0.10522300  0.98772500  0.98977800  1
  C  C6  1  0.95001200  0.70417000  0.91807100  1
  C  C7  1  0.45674500  0.20381800  0.41956200  1
  C  C8  1  0.71137400  0.41792400  0.70478900  1
  C  C9  1  0.21742000  0.91439300  0.20664000  1
  C  C10  1  0.71299400  0.57664200  0.29341400  1
  C  C11  1  0.21395400  0.07564000  0.79184400  1
  C  C12  1  0.91202000  0.28459700  0.07524400  1
  C  C13  1  0.41653200  0.78121400  0.57312100  1
  O  O14  1  0.00558900  0.80868900  0.87015400  1
  O  O15  1  0.50505300  0.30791800  0.36888400  1
  O  O16  1  0.72382900  0.67541000  0.91562700  1
  O  O17  1  0.23247200  0.17008900  0.41346600  1
  O  O18  1  0.49018700  0.41039200  0.64556000  1
  O  O19  1  0.99434000  0.90960400  0.15230900  1
  O  O20  1  0.86599100  0.45717900  0.63211300  1
  O  O21  1  0.37008900  0.95210100  0.13030700  1
  O  O22  1  0.77096500  0.38904900  0.82104600  1
  O  O23  1  0.28847500  0.88552400  0.32169500  1
  O  O24  1  0.11647100  0.62389500  0.96838400  1
  O  O25  1  0.62562500  0.12757100  0.47385100  1
  O  O26  1  0.77402800  0.62091100  0.19225800  1
  O  O27  1  0.29121200  0.11861300  0.69396700  1
  O  O28  1  0.69374700  0.34828900  0.07195300  1
  O  O29  1  0.20205400  0.84956300  0.57362200  1
  O  O30  1  0.86651100  0.55271700  0.39330900  1
  O  O31  1  0.36316000  0.05263400  0.89604500  1
  O  O32  1  0.48615200  0.55012100  0.30533900  1
  O  O33  1  0.98753700  0.04937100  0.79899200  1
  O  O34  1  0.09364600  0.35760400  0.06363300  1
  O  O35  1  0.60278700  0.84909100  0.55842600  1
  O  O36  1  0.94638600  0.16009800  0.08956400  1
  O  O37  1  0.43705700  0.65709300  0.58897900  1
