data_[Ba6Si4H4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5265]
_cell_length_b [4.5265]
_cell_length_c [28.4132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Si2(HAu2)2]
_chemical_formula_sum '[Ba6 Si4 H4 Au8]'
_cell_volume [582.1525]
_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  4  0.0000  0.0000  0.1877  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.0000  0.0000  0.4339  1
  H  H3  4  0.0000  0.0000  0.2817  1
  Au  Au4  8  0.0000  0.5000  0.0970  1
]