data_[Ba2Pt4Pb4]
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 [7.0822]
_cell_length_b [7.1966]
_cell_length_c [6.3406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(PtPb)2]
_chemical_formula_sum '[Ba2 Pt4 Pb4]'
_cell_volume [281.5465]
_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
  Pt  Pt1  4  0.0000  0.1927  0.5000  1.0
  Pb  Pb2  4  0.1060  0.5000  0.3006  1.0
]