data_[Ba2Tl2Ag2Cl12]
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
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.0697]
_cell_length_b [12.0712]
_cell_length_c [6.6403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaTlAgCl6]
_chemical_formula_sum '[Ba2 Tl2 Ag2 Cl12]'
_cell_volume [566.6489]
_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
[
  Ba  Ba0  2  0.0000  0.9962  0.0000  1.0
  Tl  Tl1  2  0.0000  0.3313  0.5000  1.0
  Ag  Ag2  2  0.0000  0.6659  0.5000  1.0
  Cl  Cl3  4  0.1334  0.4925  0.7314  1.0
  Cl  Cl4  4  0.1717  0.1839  0.7332  1.0
  Cl  Cl5  4  0.1915  0.8203  0.7234  1.0
]