data_[Ba4Tl4Zn4Cl20]
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
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3888]
_cell_length_b [12.5297]
_cell_length_c [10.7029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaTlZnCl5]
_chemical_formula_sum '[Ba4 Tl4 Zn4 Cl20]'
_cell_volume [1166.2509]
_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  0.0000  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3518  0.2500  1.0
  Zn  Zn2  4  0.0000  0.3175  0.7500  1.0
  Cl  Cl3  8  0.1342  0.2097  0.6579  1.0
  Cl  Cl4  8  0.1558  0.4265  0.9200  1.0
  Cl  Cl5  4  0.0000  0.1091  0.2500  1.0
]