data_[Rb8Ba64]
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
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [11.6740]
_cell_length_b [14.8384]
_cell_length_c [28.5348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [RbBa8]
_chemical_formula_sum '[Rb8 Ba64]'
_cell_volume [4942.9006]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.0000  1
  Ba  Ba1  32  0.0557  0.1365  0.8609  1
  Ba  Ba2  32  0.1105  0.1176  0.7054  1
]