data_[Ba6P9Pt36Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3528]
_cell_length_b [8.3528]
_cell_length_c [19.0354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2P3Pt12Au]
_chemical_formula_sum '[Ba6 P9 Pt36 Au3]'
_cell_volume [1150.1628]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3887  1
  P  P1  9  0.0000  0.5000  0.5000  1
  Pt  Pt2  18  0.0010  0.5005  0.6184  1
  Pt  Pt3  18  0.0490  0.5245  0.8593  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]