data_[Ba4Pt4Pb4]
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 [12.8557]
_cell_length_b [4.7886]
_cell_length_c [6.1201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPtPb]
_chemical_formula_sum '[Ba4 Pt4 Pb4]'
_cell_volume [371.1131]
_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  0.1240  0.0000  0.3215  1.0
  Pt  Pt1  4  0.2102  0.0000  0.8689  1.0
  Pb  Pb2  4  0.0956  0.5000  0.8130  1.0
]