data_[Ba2Tl2Ag6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.8558]
_cell_length_b [6.9092]
_cell_length_c [6.1110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaTlAg3]
_chemical_formula_sum '[Ba2 Tl2 Ag6]'
_cell_volume [273.4522]
_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  0.2089  0.0000  0.1005  1.0
  Tl  Tl1  2  0.3796  0.5000  0.3573  1.0
  Ag  Ag2  4  0.2092  0.2897  0.6091  1.0
  Ag  Ag3  2  0.0181  0.5000  0.8126  1.0
]