data_[Cs2Tl4Cu4Cl12]
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/m]
_cell_length_a [10.9670]
_cell_length_b [7.3131]
_cell_length_c [9.8948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTl2(CuCl3)2]
_chemical_formula_sum '[Cs2 Tl4 Cu4 Cl12]'
_cell_volume [740.0265]
_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  0.5000  0.5000  1.0
  Tl  Tl1  4  0.1839  0.5000  0.1279  1.0
  Cu  Cu2  4  0.0300  0.0000  0.3061  1.0
  Cl  Cl3  8  0.0611  0.2450  0.8250  1.0
  Cl  Cl4  4  0.1824  0.0000  0.5213  1.0
]