data_[Ba16Sn4Pb2]
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 [C2/m]
_cell_length_a [21.8907]
_cell_length_b [5.9320]
_cell_length_c [8.4106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8Sn2Pb]
_chemical_formula_sum '[Ba16 Sn4 Pb2]'
_cell_volume [1048.7907]
_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  4  0.0317  0.0000  0.7860  1.0
  Ba  Ba1  4  0.0938  0.5000  0.4429  1.0
  Ba  Ba2  4  0.1640  0.5000  0.9559  1.0
  Ba  Ba3  4  0.2079  0.0000  0.3132  1.0
  Sn  Sn4  4  0.1888  0.0000  0.7148  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]