data_[Cs4Fe2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3665]
_cell_length_b [7.4879]
_cell_length_c [9.9646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Cs2FeCl4]
_chemical_formula_sum '[Cs4 Fe2 Cl8]'
_cell_volume [519.1595]
_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  2  0.1931  0.2500  0.4188  1
  Cs  Cs1  2  0.2987  0.2500  0.9645  1
  Fe  Fe2  2  0.2971  0.7500  0.2172  1
  Cl  Cl3  4  0.4978  0.5064  0.2757  1
  Cl  Cl4  2  0.0889  0.7500  0.3458  1
  Cl  Cl5  2  0.1520  0.7500  0.9732  1
]