data_[Ba4Tl4Cu8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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/c]
_cell_length_a [12.8332]
_cell_length_b [11.5035]
_cell_length_c [9.0195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaTl(CuCl3)2]
_chemical_formula_sum '[Ba4 Tl4 Cu8 Cl24]'
_cell_volume [1273.7357]
_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
[
  Ba  Ba0  4  0.0000  0.1273  0.7500  1.0
  Tl  Tl1  4  0.0000  0.4001  0.2500  1.0
  Cu  Cu2  8  0.2459  0.1726  0.2235  1.0
  Cl  Cl3  8  0.0802  0.1082  0.1173  1.0
  Cl  Cl4  8  0.0885  0.3587  0.6258  1.0
  Cl  Cl5  8  0.2413  0.3653  0.1699  1.0
]