data_[Li8Fe4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3214]
_cell_length_b [7.3689]
_cell_length_c [10.5127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Li2FeCl4]
_chemical_formula_sum '[Li8 Fe4 Cl16]'
_cell_volume [567.1613]
_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  4  0.0000  0.0000  0.0000  1
  Li  Li1  4  0.0000  0.2500  0.6121  1
  Fe  Fe2  4  0.2500  0.2500  0.2500  1
  Cl  Cl3  8  0.0000  0.0147  0.2483  1
  Cl  Cl4  8  0.2372  0.2500  0.0178  1
]