data_[Cs1Fe1Pb2Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1036]
_cell_length_b [7.6240]
_cell_length_c [8.4906]
_cell_angle_alpha [72.5372]
_cell_angle_beta [89.5933]
_cell_angle_gamma [89.3509]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsFe(PbBr4)2]
_chemical_formula_sum '[Cs1 Fe1 Pb2 Br8]'
_cell_volume [438.6093]
_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  0.4583  0.9890  0.7586  1.0
  Br  Br3  2  0.0423  0.9665  0.7212  1.0
  Br  Br4  2  0.2369  0.2408  0.9359  1.0
  Br  Br5  2  0.2446  0.7662  0.1039  1.0
  Br  Br6  2  0.4864  0.2764  0.4385  1.0
]