data_[Cs2In2Sn2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.1269]
_cell_length_b [11.0014]
_cell_length_c [6.0815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsInSnF6]
_chemical_formula_sum '[Cs2 In2 Sn2 F12]'
_cell_volume [409.8976]
_cell_formula_units_Z [2]
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  2  0.0000  0.9996  0.0000  1.0
  In  In1  2  0.0000  0.6646  0.5000  1.0
  Sn  Sn2  2  0.0000  0.3342  0.5000  1.0
  F  F3  4  0.1103  0.5202  0.3022  1.0
  F  F4  4  0.1637  0.7966  0.3060  1.0
  F  F5  4  0.2037  0.1836  0.3154  1.0
]