data_[Cs8Cd4Cu4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3974]
_cell_length_b [21.1065]
_cell_length_c [14.6315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2CdCuBr5]
_chemical_formula_sum '[Cs8 Cd4 Cu4 Br20]'
_cell_volume [1358.0019]
_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  0.1211  0.7005  1.0
  Cs  Cs1  4  0.0000  0.1274  0.3157  1.0
  Cd  Cd2  4  0.0000  0.2076  0.0200  1.0
  Cu  Cu3  4  0.0000  0.4294  0.4319  1.0
  Br  Br4  4  0.0000  0.0759  0.0162  1.0
  Br  Br5  4  0.0000  0.2930  0.6481  1.0
  Br  Br6  4  0.0000  0.3060  0.3855  1.0
  Br  Br7  4  0.0000  0.3351  0.0082  1.0
  Br  Br8  4  0.0000  0.4945  0.2980  1.0
]