data_[Cs1Fe1Sn2F8]
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
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1656]
_cell_length_b [5.4295]
_cell_length_c [8.3714]
_cell_angle_alpha [83.7287]
_cell_angle_beta [88.0425]
_cell_angle_gamma [86.6918]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsFeSn2F8]
_chemical_formula_sum '[Cs1 Fe1 Sn2 F8]'
_cell_volume [232.9054]
_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  1.0
  Fe  Fe1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4968  0.4973  0.7787  1.0
  F  F3  2  0.1757  0.7999  0.8435  1.0
  F  F4  2  0.2368  0.2743  0.9353  1.0
  F  F5  2  0.2406  0.8711  0.1712  1.0
  F  F6  2  0.2806  0.4079  0.5926  1.0
]