data_[Ba6Tl4Ag8]
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 [C2/m]
_cell_length_a [12.5488]
_cell_length_b [5.0048]
_cell_length_c [9.7889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2281]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(TlAg2)2]
_chemical_formula_sum '[Ba6 Tl4 Ag8]'
_cell_volume [580.4895]
_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  0.1499  0.5000  0.6832  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.1424  0.5000  0.3102  1.0
  Ag  Ag3  4  0.0775  0.0000  0.4140  1.0
  Ag  Ag4  4  0.2242  0.5000  0.0565  1.0
]