data_[Tl8Cd4Ag4Cl20]
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
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1169]
_cell_length_b [18.5517]
_cell_length_c [13.7898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2CdAgCl5]
_chemical_formula_sum '[Tl8 Cd4 Ag4 Cl20]'
_cell_volume [1053.1998]
_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  0.0982  0.6695  1.0
  Tl  Tl1  4  0.0000  0.1344  0.3069  1.0
  Cd  Cd2  4  0.0000  0.2163  0.0228  1.0
  Ag  Ag3  4  0.0000  0.4521  0.4434  1.0
  Cl  Cl4  4  0.0000  0.0723  0.0541  1.0
  Cl  Cl5  4  0.0000  0.2739  0.6531  1.0
  Cl  Cl6  4  0.0000  0.3017  0.3963  1.0
  Cl  Cl7  4  0.0000  0.3566  0.9991  1.0
  Cl  Cl8  4  0.0000  0.4937  0.7787  1.0
]