data_[Ba16Tl4Ag4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.5094]
_cell_length_b [18.7621]
_cell_length_c [7.6442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ba4TlAgO]
_chemical_formula_sum '[Ba16 Tl4 Ag4 O4]'
_cell_volume [1077.0037]
_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  8  0.2500  0.2500  0.0000  1.0
  Ba  Ba1  4  0.0000  0.0642  0.2500  1.0
  Ba  Ba2  4  0.0000  0.4159  0.2500  1.0
  Tl  Tl3  4  0.0000  0.3879  0.7500  1.0
  Ag  Ag4  4  0.0000  0.1202  0.7500  1.0
  O  O5  4  0.0000  0.2758  0.2500  1.0
]