data_[Cs1Fe1Pb2Cl8]
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 [P-1]
_cell_length_a [6.6731]
_cell_length_b [7.3202]
_cell_length_c [8.2752]
_cell_angle_alpha [71.9680]
_cell_angle_beta [89.0947]
_cell_angle_gamma [89.4709]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsFe(PbCl4)2]
_chemical_formula_sum '[Cs1 Fe1 Pb2 Cl8]'
_cell_volume [384.3229]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Fe  Fe1  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.4690  0.9765  0.7612  1.0
  Cl  Cl3  2  0.0373  0.9555  0.7365  1.0
  Cl  Cl4  2  0.2395  0.2334  0.9247  1.0
  Cl  Cl5  2  0.2432  0.7739  0.1044  1.0
  Cl  Cl6  2  0.4902  0.2674  0.4523  1.0
]