data_[Cs4Sn4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.7900]
_cell_length_b [6.8682]
_cell_length_c [15.3264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8841]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsSnF3]
_chemical_formula_sum '[Cs4 Sn4 F12]'
_cell_volume [482.4879]
_cell_formula_units_Z [4]
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  4  0.1163  0.0349  0.3589  1.0
  Sn  Sn1  4  0.3709  0.0457  0.1192  1.0
  F  F2  4  0.0541  0.5731  0.3604  1.0
  F  F3  4  0.3071  0.1845  0.5533  1.0
  F  F4  4  0.4794  0.6989  0.2586  1.0
]