data_[Ba4Tl8Ag4Cl20]
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 [Cmc2_1]
_cell_length_a [4.5389]
_cell_length_b [19.0311]
_cell_length_c [13.4826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [BaTl2AgCl5]
_chemical_formula_sum '[Ba4 Tl8 Ag4 Cl20]'
_cell_volume [1164.6248]
_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  0.2044  0.0072  1.0
  Tl  Tl1  4  0.0000  0.1071  0.6893  1.0
  Tl  Tl2  4  0.0000  0.1183  0.3073  1.0
  Ag  Ag3  4  0.0000  0.4909  0.4674  1.0
  Cl  Cl4  4  0.0000  0.0433  0.0491  1.0
  Cl  Cl5  4  0.0000  0.2932  0.6627  1.0
  Cl  Cl6  4  0.0000  0.3034  0.3551  1.0
  Cl  Cl7  4  0.0000  0.3658  0.0083  1.0
  Cl  Cl8  4  0.0000  0.4996  0.7777  1.0
]