data_[Rb2Ba16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2577]
_cell_length_b [8.5736]
_cell_length_c [7.6616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbBa8Au2]
_chemical_formula_sum '[Rb2 Ba16 Au4]'
_cell_volume [1254.7359]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.0000  1
  Ba  Ba1  8  0.1422  0.2496  0.3896  1
  Ba  Ba2  4  0.0788  0.5000  0.8278  1
  Ba  Ba3  4  0.2124  0.0000  0.9075  1
  Au  Au4  4  0.2293  0.5000  0.6642  1
]