data_[Cs2Tl2Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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]
_cell_length_a [7.3919]
_cell_length_b [10.8691]
_cell_length_c [7.6903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsTlCuCl6]
_chemical_formula_sum '[Cs2 Tl2 Cu2 Cl12]'
_cell_volume [610.9984]
_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
[
  Cs  Cs0  2  0.0000  0.9535  0.0000  1.0
  Tl  Tl1  2  0.0000  0.3196  0.5000  1.0
  Cu  Cu2  2  0.0000  0.6696  0.5000  1.0
  Cl  Cl3  4  0.1063  0.5202  0.6974  1.0
  Cl  Cl4  4  0.1754  0.1927  0.7410  1.0
  Cl  Cl5  4  0.1847  0.8148  0.6528  1.0
]