data_[Fe8Cu4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.0695]
_cell_length_b [13.5208]
_cell_length_c [6.2815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Fe2CuCl6]
_chemical_formula_sum '[Fe8 Cu4 Cl24]'
_cell_volume [1020.9004]
_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
[
  Fe  Fe0  8  0.2223  0.4170  0.3471  1.0
  Cu  Cu1  4  0.0000  0.2084  0.2500  1.0
  Cl  Cl2  8  0.0980  0.1100  0.5626  1.0
  Cl  Cl3  8  0.1133  0.3002  0.1232  1.0
  Cl  Cl4  8  0.1793  0.4306  0.6701  1.0
]