data_[Tl4Cu2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6484]
_cell_length_b [6.9059]
_cell_length_c [9.3407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2CuCl8]
_chemical_formula_sum '[Tl4 Cu2 Cl16]'
_cell_volume [836.3304]
_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  0.2339  0.0000  0.3172  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1051  0.2364  0.1365  1.0
  Cl  Cl3  4  0.1045  0.5000  0.7271  1.0
  Cl  Cl4  4  0.1946  0.0000  0.5520  1.0
]