data_[Ba24Tl2Ag10]
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 [Immm]
_cell_length_a [11.0915]
_cell_length_b [11.7175]
_cell_length_c [12.2476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba12TlAg5]
_chemical_formula_sum '[Ba24 Tl2 Ag10]'
_cell_volume [1591.7495]
_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  8  0.0000  0.1879  0.2488  1
  Ba  Ba1  8  0.1959  0.5000  0.1658  1
  Ba  Ba2  8  0.2287  0.3258  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.5000  1
  Ag  Ag4  4  0.0000  0.3372  0.0000  1
  Ag  Ag5  4  0.0000  0.5000  0.3823  1
  Ag  Ag6  2  0.0000  0.0000  0.0000  1
]