# generated using pymatgen
data_LiFe(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.99180700
_cell_length_b   7.33547500
_cell_length_c   9.10309477
_cell_angle_alpha   57.42189914
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe(CO3)2
_chemical_formula_sum   'Li4 Fe4 C8 O24'
_cell_volume   562.22845811
_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  0.61069700  0.65783300  0.83542400  1
  Li  Li1  1  0.11069700  0.34216700  0.66457600  1
  Li  Li2  1  0.88930300  0.65783300  0.33542400  1
  Li  Li3  1  0.38930300  0.34216700  0.16457600  1
  Fe  Fe4  1  0.14603700  0.51409000  0.92527000  1
  Fe  Fe5  1  0.64603700  0.48591000  0.57473000  1
  Fe  Fe6  1  0.35396300  0.51409000  0.42527000  1
  Fe  Fe7  1  0.85396300  0.48591000  0.07473000  1
  C  C8  1  0.38904000  0.46844400  0.77635000  1
  C  C9  1  0.88904000  0.53155600  0.72365000  1
  C  C10  1  0.00894000  0.09400200  0.14057100  1
  C  C11  1  0.50894000  0.90599800  0.35942900  1
  C  C12  1  0.49106000  0.09400200  0.64057100  1
  C  C13  1  0.99106000  0.90599800  0.85942900  1
  C  C14  1  0.11096000  0.46844400  0.27635000  1
  C  C15  1  0.61096000  0.53155600  0.22365000  1
  O  O16  1  0.33992600  0.47720400  0.90578100  1
  O  O17  1  0.01725600  0.53388600  0.73660300  1
  O  O18  1  0.80680700  0.53668600  0.83071600  1
  O  O19  1  0.30680700  0.46331400  0.66928400  1
  O  O20  1  0.51725600  0.46611400  0.76339700  1
  O  O21  1  0.50782500  0.10782200  0.28202800  1
  O  O22  1  0.83992600  0.52279600  0.59421900  1
  O  O23  1  0.90413900  0.19944000  0.14717200  1
  O  O24  1  0.11362400  0.20711900  0.05093700  1
  O  O25  1  0.61362400  0.79288100  0.44906300  1
  O  O26  1  0.40413900  0.80056000  0.35282800  1
  O  O27  1  0.99217500  0.10782200  0.78202800  1
  O  O28  1  0.00782500  0.89217800  0.21797200  1
  O  O29  1  0.59586100  0.19944000  0.64717200  1
  O  O30  1  0.38637600  0.20711900  0.55093700  1
  O  O31  1  0.88637600  0.79288100  0.94906300  1
  O  O32  1  0.09586100  0.80056000  0.85282800  1
  O  O33  1  0.16007400  0.47720400  0.40578100  1
  O  O34  1  0.49217500  0.89217800  0.71797200  1
  O  O35  1  0.48274400  0.53388600  0.23660300  1
  O  O36  1  0.69319300  0.53668600  0.33071600  1
  O  O37  1  0.19319300  0.46331400  0.16928400  1
  O  O38  1  0.98274400  0.46611400  0.26339700  1
  O  O39  1  0.66007400  0.52279600  0.09421900  1
