data_[Cs4Cd12In20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8327]
_cell_length_b [15.0771]
_cell_length_c [15.5474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsCd3In5]
_chemical_formula_sum '[Cs4 Cd12 In20]'
_cell_volume [1132.8401]
_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  0.0000  0.1761  0.2500  1
  Cd  Cd1  8  0.0000  0.3725  0.5382  1
  Cd  Cd2  4  0.0000  0.0986  0.7500  1
  In  In3  8  0.0000  0.1852  0.5804  1
  In  In4  8  0.0000  0.4636  0.1475  1
  In  In5  4  0.0000  0.0000  0.0000  1
]