data_[Ba4Ag12Pb8]
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/m]
_cell_length_a [18.5666]
_cell_length_b [4.8616]
_cell_length_c [8.3270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5955]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaAg3Pb2]
_chemical_formula_sum '[Ba4 Ag12 Pb8]'
_cell_volume [677.8584]
_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  4  0.1495  0.0000  0.0876  1.0
  Ag  Ag1  4  0.0102  0.0000  0.3472  1.0
  Ag  Ag2  4  0.0861  0.5000  0.6451  1.0
  Ag  Ag3  4  0.1997  0.5000  0.4706  1.0
  Pb  Pb4  4  0.0331  0.5000  0.2067  1.0
  Pb  Pb5  4  0.1801  0.0000  0.6737  1.0
]