data_[Ba16Pt4Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5311]
_cell_length_b [18.4624]
_cell_length_c [8.0549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.1057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba4PtAu]
_chemical_formula_sum '[Ba16 Pt4 Au4]'
_cell_volume [1145.1592]
_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  0.2362  0.1836  0.7461  1.0
  Ba  Ba1  8  0.2370  0.0516  0.2373  1.0
  Pt  Pt2  4  0.0000  0.0701  0.7500  1.0
  Au  Au3  4  0.0000  0.4279  0.2500  1.0
]