data_[Ba4Ca4H24Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7431]
_cell_length_b [10.6605]
_cell_length_c [6.7288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaCa(H3Au)2]
_chemical_formula_sum '[Ba4 Ca4 H24 Au8]'
_cell_volume [612.5444]
_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  0.1715  0.7500  1
  Ca  Ca1  4  0.0000  0.4328  0.2500  1
  H  H2  8  0.0636  0.3909  0.5876  1
  H  H3  8  0.1862  0.2710  0.2901  1
  H  H4  8  0.2098  0.0177  0.6137  1
  Au  Au5  8  0.2061  0.1225  0.2229  1
]