data_[Ba16Pd4Pt4]
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 [9.3172]
_cell_length_b [18.2222]
_cell_length_c [7.9403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4PdPt]
_chemical_formula_sum '[Ba16 Pd4 Pt4]'
_cell_volume [1092.3940]
_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  0.2450  0.0529  0.7450  1.0
  Ba  Ba1  8  0.2470  0.1833  0.2495  1.0
  Pd  Pd2  4  0.0000  0.4286  0.7500  1.0
  Pt  Pt3  4  0.0000  0.0706  0.2500  1.0
]