data_[Cs2Fe4Pb2Cl16]
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
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9733]
_cell_length_b [7.5240]
_cell_length_c [10.4814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsFe2PbCl8]
_chemical_formula_sum '[Cs2 Fe4 Pb2 Cl16]'
_cell_volume [857.8683]
_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  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1058  0.5000  0.7846  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0172  0.2567  0.2132  1.0
  Cl  Cl4  4  0.1882  0.5000  0.6029  1.0
  Cl  Cl5  4  0.2324  0.5000  0.9735  1.0
]