data_[Ba6Ag6Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1723]
_cell_length_b [11.8701]
_cell_length_c [14.5941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3Ag3Pb8]
_chemical_formula_sum '[Ba6 Ag6 Pb16]'
_cell_volume [896.0154]
_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  0.0000  0.0000  0.2136  1.0
  Ba  Ba1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.0000  0.1260  0.0000  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb4  8  0.0000  0.3054  0.3606  1.0
  Pb  Pb5  8  0.0000  0.3480  0.1256  1.0
]