data_[Ba1Ag8Pb3]
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 [P3m1]
_cell_length_a [5.8654]
_cell_length_b [5.8654]
_cell_length_c [9.4633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [BaAg8Pb3]
_chemical_formula_sum '[Ba1 Ag8 Pb3]'
_cell_volume [281.9523]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4298  1.0
  Ag  Ag1  3  0.1659  0.8341  0.7550  1.0
  Ag  Ag2  3  0.5012  0.0023  0.2436  1.0
  Ag  Ag3  1  0.3333  0.6667  0.0013  1.0
  Ag  Ag4  1  0.3333  0.6667  0.5027  1.0
  Pb  Pb5  1  0.0000  0.0000  0.0404  1.0
  Pb  Pb6  1  0.6667  0.3333  0.5792  1.0
  Pb  Pb7  1  0.6667  0.3333  0.9510  1.0
]