data_[Cs8Cd4Cu4Cl20]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1756]
_cell_length_b [20.4555]
_cell_length_c [13.9354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2CdCuCl5]
_chemical_formula_sum '[Cs8 Cd4 Cu4 Cl20]'
_cell_volume [1190.2658]
_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  0.1219  0.7004  1.0
  Cs  Cs1  4  0.0000  0.1260  0.3120  1.0
  Cd  Cd2  4  0.0000  0.2102  0.0155  1.0
  Cu  Cu3  4  0.0000  0.4361  0.4411  1.0
  Cl  Cl4  4  0.0000  0.0783  0.0178  1.0
  Cl  Cl5  4  0.0000  0.2922  0.6434  1.0
  Cl  Cl6  4  0.0000  0.3028  0.3851  1.0
  Cl  Cl7  4  0.0000  0.3358  0.0067  1.0
  Cl  Cl8  4  0.0000  0.4928  0.3019  1.0
]