data_[K2Fe4Pb2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [10.9303]
_cell_length_b [7.5374]
_cell_length_c [9.6941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KFe2PbCl8]
_chemical_formula_sum '[K2 Fe4 Pb2 Cl16]'
_cell_volume [797.3501]
_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
[
  K  K0  2  0.0000  0.0000  0.5000  1.0
  Fe  Fe1  4  0.1206  0.5000  0.7688  1.0
  Pb  Pb2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  8  0.0020  0.2558  0.2290  1.0
  Cl  Cl4  4  0.2155  0.5000  0.5746  1.0
  Cl  Cl5  4  0.2337  0.5000  0.9717  1.0
]