data_[Ba8Ag8Pb16]
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 [Cmcm]
_cell_length_a [5.1750]
_cell_length_b [19.0138]
_cell_length_c [10.5062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaAgPb2]
_chemical_formula_sum '[Ba8 Ag8 Pb16]'
_cell_volume [1033.7717]
_cell_formula_units_Z [8]
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  0.3043  0.7500  1
  Ba  Ba1  4  0.0000  0.5000  0.0000  1
  Ag  Ag2  8  0.0000  0.1476  0.0215  1
  Pb  Pb3  8  0.0000  0.3071  0.0960  1
  Pb  Pb4  4  0.0000  0.0608  0.2500  1
  Pb  Pb5  4  0.0000  0.1003  0.7500  1
]