data_[Ba4Sn4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.5044]
_cell_length_b [7.7950]
_cell_length_c [12.6564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BaSnPb2]
_chemical_formula_sum '[Ba4 Sn4 Pb8]'
_cell_volume [543.0382]
_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  0.0000  0.2450  0.5866  1
  Sn  Sn1  2  0.0000  0.0000  0.3341  1
  Sn  Sn2  2  0.5000  0.0000  0.6945  1
  Pb  Pb3  4  0.5000  0.2465  0.3872  1
  Pb  Pb4  2  0.0000  0.0000  0.8368  1
  Pb  Pb5  2  0.5000  0.0000  0.1870  1
]