data_[Rb8Ba8Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.5311]
_cell_length_b [8.3594]
_cell_length_c [13.7505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1074]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbBaCl3]
_chemical_formula_sum '[Rb8 Ba8 Cl24]'
_cell_volume [1568.4856]
_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  0.1467  0.1752  0.6310  1.0
  Ba  Ba1  4  0.0000  0.2762  0.2500  1.0
  Ba  Ba2  4  0.2500  0.2500  0.0000  1.0
  Cl  Cl3  8  0.0648  0.2166  0.0613  1.0
  Cl  Cl4  8  0.1501  0.4508  0.8071  1.0
  Cl  Cl5  8  0.1733  0.0560  0.3709  1.0
]