data_[Ba2Ag4Pb4]
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 [7.1228]
_cell_length_b [7.1238]
_cell_length_c [6.8565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0462]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(AgPb)2]
_chemical_formula_sum '[Ba2 Ag4 Pb4]'
_cell_volume [301.1564]
_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  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  4  0.0000  0.2096  0.5000  1.0
  Pb  Pb2  4  0.0969  0.5000  0.2604  1.0
]