# generated using pymatgen
data_LiFe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61941807
_cell_length_b   7.27255279
_cell_length_c   9.24120037
_cell_angle_alpha   89.97949516
_cell_angle_beta   89.97081221
_cell_angle_gamma   104.44619067
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(CO3)2
_chemical_formula_sum   'Li4 Fe4 C8 O24'
_cell_volume   365.72392389
_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  0.99935679  0.00107691  0.49992983  1
  Li  Li1  1  0.50063662  0.49891940  0.75007018  1
  Li  Li2  1  0.99936462  0.00107813  -0.00007044  1
  Li  Li3  1  0.50063789  0.49892341  0.25007105  1
  Fe  Fe4  1  0.00034011  0.50036993  0.50021469  1
  Fe  Fe5  1  0.49965957  0.99962380  0.74978185  1
  Fe  Fe6  1  0.00034463  0.50037078  0.00022153  1
  Fe  Fe7  1  0.49965951  0.99962628  0.24978180  1
  C  C8  1  0.00796328  0.74570275  0.75008730  1
  C  C9  1  0.50850223  0.24586813  0.99972123  1
  C  C10  1  0.00796485  0.74570756  0.25008384  1
  C  C11  1  0.50849425  0.24586786  0.49971700  1
  C  C12  1  0.99148966  0.25413870  0.25028435  1
  C  C13  1  0.49204363  0.75428781  0.49991027  1
  C  C14  1  0.99149059  0.25414181  0.75028359  1
  C  C15  1  0.49205357  0.75428718  0.99991231  1
  O  O16  1  0.99956380  0.26120908  0.61098316  1
  O  O17  1  0.49984133  0.76086201  0.86063873  1
  O  O18  1  0.99957155  0.26120076  0.11098279  1
  O  O19  1  0.49984210  0.76086458  0.36063811  1
  O  O20  1  0.65007536  0.38922720  0.43543276  1
  O  O21  1  0.14987279  0.88890894  0.68568231  1
  O  O22  1  0.65008466  0.38923290  0.93543738  1
  O  O23  1  0.14987626  0.88890897  0.18567481  1
  O  O24  1  0.87122517  0.61040185  0.67541795  1
  O  O25  1  0.37196552  0.11073768  0.92468849  1
  O  O26  1  0.87122550  0.61040396  0.17541663  1
  O  O27  1  0.37195417  0.11074095  0.42468600  1
  O  O28  1  0.12802125  0.38927000  0.32530505  1
  O  O29  1  0.62879658  0.88959527  0.57459373  1
  O  O30  1  0.12803658  0.38926659  0.82530709  1
  O  O31  1  0.62880637  0.88959681  0.07459523  1
  O  O32  1  0.35011309  0.61107570  0.56432143  1
  O  O33  1  0.84991806  0.11078594  0.81456428  1
  O  O34  1  0.35012281  0.61106913  0.06432509  1
  O  O35  1  0.84991955  0.11078019  0.31456823  1
  O  O36  1  0.00017823  0.73914213  0.38934709  1
  O  O37  1  0.50040252  0.23879635  0.63901721  1
  O  O38  1  0.00017549  0.73913448  0.88935221  1
  O  O39  1  0.50041350  0.23879909  0.13902387  1
