data_[Li4Fe4Cu4Cl20]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4007]
_cell_length_b [9.2315]
_cell_length_c [9.4085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiFeCuCl5]
_chemical_formula_sum '[Li4 Fe4 Cu4 Cl20]'
_cell_volume [884.6109]
_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  1.0
  Fe  Fe1  4  0.0000  0.3448  0.2500  1.0
  Cu  Cu2  4  0.0000  0.3603  0.7500  1.0
  Cl  Cl3  8  0.1135  0.2087  0.1630  1.0
  Cl  Cl4  8  0.1449  0.4926  0.4380  1.0
  Cl  Cl5  4  0.0000  0.1231  0.7500  1.0
]