data_[Cs8In16Sn20]
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
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.1312]
_cell_length_b [11.9221]
_cell_length_c [17.9947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Cs2In4Sn5]
_chemical_formula_sum '[Cs8 In16 Sn20]'
_cell_volume [1529.8794]
_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  8  0.0000  0.0000  0.1317  1
  In  In1  16  0.0000  0.1398  0.3592  1
  Sn  Sn2  8  0.2500  0.2500  0.0000  1
  Sn  Sn3  8  0.2500  0.2500  0.2500  1
  Sn  Sn4  4  0.0000  0.0000  0.5000  1
]