data_[Tl8Cd4Cu4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [4.0112]
_cell_length_b [19.0809]
_cell_length_c [13.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2CdCuCl5]
_chemical_formula_sum '[Tl8 Cd4 Cu4 Cl20]'
_cell_volume [1012.8665]
_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
[
  Tl  Tl0  4  0.0000  0.1169  0.6960  1
  Tl  Tl1  4  0.0000  0.1250  0.3180  1
  Cd  Cd2  4  0.0000  0.2108  0.0181  1
  Cu  Cu3  4  0.0000  0.4451  0.4378  1
  Cl  Cl4  4  0.0000  0.0688  0.0234  1
  Cl  Cl5  4  0.0000  0.2888  0.6536  1
  Cl  Cl6  4  0.0000  0.3022  0.3813  1
  Cl  Cl7  4  0.0000  0.3474  0.0088  1
  Cl  Cl8  4  0.0000  0.4981  0.2869  1
]