data_[Cs4Fe2Cu4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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/m]
_cell_length_a [12.6273]
_cell_length_b [7.2959]
_cell_length_c [7.7421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Fe(CuCl3)2]
_chemical_formula_sum '[Cs4 Fe2 Cu4 Cl12]'
_cell_volume [607.7494]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  4  0.2299  0.5000  0.1934  1.0
  Fe  Fe1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0863  0.0000  0.2664  1.0
  Cl  Cl3  8  0.0027  0.2650  0.7362  1.0
  Cl  Cl4  4  0.2329  0.5000  0.7212  1.0
]