data_[Ba16H4Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3540]
_cell_length_b [9.4310]
_cell_length_c [7.6347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8H2Au]
_chemical_formula_sum '[Ba16 H4 Au2]'
_cell_volume [1102.6195]
_cell_formula_units_Z [2]
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  0.1080  0.2285  0.7734  1.0
  Ba  Ba1  4  0.1484  0.5000  0.2715  1.0
  Ba  Ba2  4  0.1572  0.0000  0.3090  1.0
  H  H3  4  0.1835  0.0000  0.6569  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
]