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 [P2_1/m]
_cell_length_a [5.1624]
_cell_length_b [4.8569]
_cell_length_c [10.8398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(PtPb)2]
_chemical_formula_sum '[Ba2 Pt4 Pb4]'
_cell_volume [271.2348]
_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  0.2724  0.7500  0.7559  1.0
  Pt  Pt1  2  0.2290  0.7500  0.3694  1.0
  Pt  Pt2  2  0.3347  0.2500  0.0034  1.0
  Pb  Pb3  2  0.1823  0.7500  0.1114  1.0
  Pb  Pb4  2  0.2534  0.2500  0.5046  1.0
]