data_[Ba8Pt4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5104]
_cell_length_b [4.2815]
_cell_length_c [13.8222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2PtPb2]
_chemical_formula_sum '[Ba8 Pt4 Pb8]'
_cell_volume [716.7947]
_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  0.0958  0.0000  0.8826  1
  Ba  Ba1  4  0.2223  0.5000  0.6418  1
  Pt  Pt2  4  0.0689  0.5000  0.2895  1
  Pb  Pb3  4  0.0271  0.0000  0.4015  1
  Pb  Pb4  4  0.1232  0.5000  0.1114  1
]