data_[Ba2Tl4Ag4Cl14]
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/m]
_cell_length_a [7.4375]
_cell_length_b [7.2744]
_cell_length_c [13.5872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTl2Ag2Cl7]
_chemical_formula_sum '[Ba2 Tl4 Ag4 Cl14]'
_cell_volume [710.4723]
_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  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2309  0.0000  0.3681  1.0
  Ag  Ag2  4  0.0948  0.5000  0.1998  1.0
  Cl  Cl3  8  0.1698  0.2502  0.8282  1.0
  Cl  Cl4  4  0.1638  0.5000  0.3991  1.0
  Cl  Cl5  2  0.0000  0.5000  0.0000  1.0
]