data_[Ba16Ag4Pb4]
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 [C2/c]
_cell_length_a [11.0770]
_cell_length_b [15.9595]
_cell_length_c [7.8765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4AgPb]
_chemical_formula_sum '[Ba16 Ag4 Pb4]'
_cell_volume [1147.5824]
_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  0.1253  0.1835  0.0971  1.0
  Ba  Ba1  8  0.1994  0.4422  0.2764  1.0
  Ag  Ag2  4  0.0000  0.0012  0.7500  1.0
  Pb  Pb3  4  0.0000  0.3662  0.7500  1.0
]