data_[Cs6In4Sn18]
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 [Immm]
_cell_length_a [4.8330]
_cell_length_b [14.0488]
_cell_length_c [14.6726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs3In2Sn9]
_chemical_formula_sum '[Cs6 In4 Sn18]'
_cell_volume [996.2263]
_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  4  0.0000  0.0000  0.2705  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0000  0.1460  0.5000  1.0
  Sn  Sn3  8  0.0000  0.2982  0.1612  1.0
  Sn  Sn4  8  0.0000  0.3256  0.3758  1.0
  Sn  Sn5  2  0.0000  0.5000  0.0000  1.0
]