data_[Ba8Pd8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9526]
_cell_length_b [6.0338]
_cell_length_c [8.9720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2Pd2Pt]
_chemical_formula_sum '[Ba8 Pd8 Pt4]'
_cell_volume [525.4563]
_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  8  0.1521  0.3710  0.6555  1.0
  Pd  Pd1  8  0.1245  0.1255  0.0026  1.0
  Pt  Pt2  4  0.0000  0.1415  0.2500  1.0
]