data_[Li1Fe2C3O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.8596]
_cell_length_b [4.9455]
_cell_length_c [6.2295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiFe2(CO3)3]
_chemical_formula_sum '[Li1 Fe2 C3 O9]'
_cell_volume [171.8860]
_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  0.7180  0.5000  0.1154  1
  Fe  Fe1  1  0.6032  0.5000  0.5930  1
  Fe  Fe2  1  0.9323  0.0000  0.9118  1
  C  C3  1  0.2433  0.5000  0.2599  1
  C  C4  1  0.4699  0.0000  0.8655  1
  C  C5  1  0.8469  0.0000  0.4514  1
  O  O6  2  0.5895  0.2244  0.8534  1
  O  O7  2  0.8428  0.2230  0.5656  1
  O  O8  1  0.0542  0.5000  0.0932  1
  O  O9  1  0.2459  0.5000  0.4710  1
  O  O10  1  0.2720  0.0000  0.9005  1
  O  O11  1  0.4620  0.5000  0.2436  1
  O  O12  1  0.8650  0.0000  0.2553  1
]