data_[Cd4In4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6445]
_cell_length_b [6.8459]
_cell_length_c [9.9224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CdInCl3]
_chemical_formula_sum '[Cd4 In4 Cl12]'
_cell_volume [581.2316]
_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
[
  Cd  Cd0  4  0.0778  0.7449  0.4294  1.0
  In  In1  4  0.3981  0.2354  0.8420  1.0
  Cl  Cl2  4  0.0671  0.5678  0.1726  1.0
  Cl  Cl3  4  0.1956  0.0833  0.0561  1.0
  Cl  Cl4  4  0.3594  0.6584  0.9048  1.0
]