data_[Ba6Tl4Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.2353]
_cell_length_b [15.5585]
_cell_length_c [5.2655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba3(TlCl4)2]
_chemical_formula_sum '[Ba6 Tl4 Cl16]'
_cell_volume [920.4363]
_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  4  0.2161  0.5000  0.0000  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.0000  0.2674  0.5000  1
  Cl  Cl3  8  0.2377  0.1130  0.5000  1
  Cl  Cl4  4  0.0000  0.1099  0.0000  1
  Cl  Cl5  4  0.0000  0.3795  0.0000  1
]