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 [C2/m]
_cell_length_a [15.3195]
_cell_length_b [4.5634]
_cell_length_c [7.1175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSnF3]
_chemical_formula_sum '[Cs4 Sn4 F12]'
_cell_volume [488.7773]
_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  0.1165  0.5000  0.3953  1.0
  Sn  Sn1  4  0.1327  0.0000  0.9053  1.0
  F  F2  4  0.0059  0.0000  0.7421  1.0
  F  F3  4  0.1188  0.5000  0.8500  1.0
  F  F4  4  0.1910  0.0000  0.6627  1.0
]