data_[Cs6In18]
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
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.2508]
_cell_length_b [7.2508]
_cell_length_c [17.1727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [CsIn3]
_chemical_formula_sum '[Cs6 In18]'
_cell_volume [902.8317]
_cell_formula_units_Z [6]
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  0.5000  0.1276  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  In  In2  8  0.0000  0.2067  0.7792  1.0
  In  In3  8  0.0000  0.3031  0.6088  1.0
  In  In4  2  0.0000  0.0000  0.5000  1.0
]