data_[Tl4Cd6Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4973]
_cell_length_b [7.9937]
_cell_length_c [6.9099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cd3Cl8]
_chemical_formula_sum '[Tl4 Cd6 Cl16]'
_cell_volume [813.4013]
_cell_formula_units_Z [2]
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  0.2283  0.5000  0.6659  1.0
  Cd  Cd1  4  0.0000  0.2583  0.0000  1.0
  Cd  Cd2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  8  0.0989  0.2289  0.3899  1.0
  Cl  Cl4  4  0.0981  0.0000  0.9026  1.0
  Cl  Cl5  4  0.1083  0.5000  0.9568  1.0
]