data_[Cs12Cd12In8]
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 [5.2850]
_cell_length_b [14.4623]
_cell_length_c [18.6958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs3Cd3In2]
_chemical_formula_sum '[Cs12 Cd12 In8]'
_cell_volume [1428.9849]
_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  0.0647  0.6029  1.0
  Cs  Cs1  4  0.0000  0.3914  0.7500  1.0
  Cd  Cd2  8  0.0000  0.3200  0.5378  1.0
  Cd  Cd3  4  0.0000  0.3077  0.2500  1.0
  In  In4  8  0.0000  0.2211  0.1045  1.0
]