data_[Cs1Fe1Pb2F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4845]
_cell_length_b [5.6470]
_cell_length_c [7.6232]
_cell_angle_alpha [84.9457]
_cell_angle_beta [69.7953]
_cell_angle_gamma [82.3462]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsFePb2F8]
_chemical_formula_sum '[Cs1 Fe1 Pb2 F8]'
_cell_volume [219.3721]
_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  0.0000  0.5000  1
  Fe  Fe1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  2  0.3891  0.4688  0.7753  1
  F  F3  2  0.0604  0.2738  0.1135  1
  F  F4  2  0.2329  0.7811  0.0999  1
  F  F5  2  0.2583  0.4855  0.5134  1
  F  F6  2  0.3045  0.0592  0.7710  1
]