data_[Cs3Ba3H18Au9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [R3]
_cell_length_a [7.8706]
_cell_length_b [7.8706]
_cell_length_c [14.1570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsBa(H2Au)3]
_chemical_formula_sum '[Cs3 Ba3 H18 Au9]'
_cell_volume [759.4826]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.5016  1
  Ba  Ba1  3  0.0000  0.0000  0.9894  1
  H  H2  9  0.0415  0.2812  0.8674  1
  H  H3  9  0.0607  0.6710  0.3410  1
  Au  Au4  9  0.0719  0.5567  0.4377  1
]