# generated using pymatgen
data_LiFe2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47735392
_cell_length_b   8.01052143
_cell_length_c   6.81884621
_cell_angle_alpha   84.47240320
_cell_angle_beta   113.60430086
_cell_angle_gamma   103.60418416
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2(CO3)4
_chemical_formula_sum   'Li1 Fe2 C4 O12'
_cell_volume   266.46217558
_cell_formula_units_Z   1
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  0.76747800  0.17782800  0.53342600  1
  Fe  Fe1  1  0.08891200  0.99790200  0.97771200  1
  Fe  Fe2  1  0.36522400  0.50427400  0.51771700  1
  C  C3  1  0.65422100  0.78587100  0.62166600  1
  C  C4  1  0.12792900  0.70940100  0.12084300  1
  C  C5  1  0.28607500  0.28321700  0.86746800  1
  C  C6  1  0.20257000  0.20985200  0.35968500  1
  O  O7  1  0.80975900  0.93845800  0.67934200  1
  O  O8  1  0.39773700  0.75510200  0.58625400  1
  O  O9  1  0.90197400  0.75891200  0.06481000  1
  O  O10  1  0.31708800  0.82299300  0.07987900  1
  O  O11  1  0.16933400  0.56571700  0.20638100  1
  O  O12  1  0.74570300  0.65828600  0.59451800  1
  O  O13  1  0.40498100  0.42480400  0.81325700  1
  O  O14  1  0.04888300  0.27587100  0.41943600  1
  O  O15  1  0.41207000  0.15711500  0.94821100  1
  O  O16  1  0.03351000  0.24798600  0.84815700  1
  O  O17  1  0.45679300  0.29499200  0.41966800  1
  O  O18  1  0.11255700  0.07116800  0.25188600  1
