data_[Ba20H4Pt4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  H  2.2000  0.2500  0.0000
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5997]
_cell_length_b [19.8286]
_cell_length_c [14.3292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5HPtAu2]
_chemical_formula_sum '[Ba20 H4 Pt4 Au8]'
_cell_volume [1306.9018]
_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  0.0000  0.0408  0.0045  1.0
  Ba  Ba1  4  0.0000  0.2966  0.6759  1.0
  Ba  Ba2  4  0.0000  0.3113  0.3725  1.0
  Ba  Ba3  4  0.0000  0.3509  0.0183  1.0
  Ba  Ba4  4  0.0000  0.4989  0.7666  1.0
  H  H5  4  0.0000  0.4438  0.4255  1.0
  Pt  Pt6  4  0.0000  0.1960  0.0250  1.0
  Au  Au7  4  0.0000  0.1176  0.6994  1.0
  Au  Au8  4  0.0000  0.1220  0.3364  1.0
]