data_[Tl8Cd4Ag4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3068]
_cell_length_b [19.4337]
_cell_length_c [14.2255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl2CdAgBr5]
_chemical_formula_sum '[Tl8 Cd4 Ag4 Br20]'
_cell_volume [1190.6307]
_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  0.1026  0.6735  1.0
  Tl  Tl1  4  0.0000  0.1322  0.3096  1.0
  Cd  Cd2  4  0.0000  0.2149  0.0233  1.0
  Ag  Ag3  4  0.0000  0.4480  0.4397  1.0
  Br  Br4  4  0.0000  0.0703  0.0522  1.0
  Br  Br5  4  0.0000  0.2765  0.6583  1.0
  Br  Br6  4  0.0000  0.3009  0.3912  1.0
  Br  Br7  4  0.0000  0.3565  0.0014  1.0
  Br  Br8  4  0.0000  0.4940  0.7746  1.0
]