data_[Rb2Ba1Cl6]
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 [P-1]
_cell_length_a [4.6902]
_cell_length_b [7.9821]
_cell_length_c [9.1096]
_cell_angle_alpha [70.2051]
_cell_angle_beta [84.3913]
_cell_angle_gamma [73.6801]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2BaCl6]
_chemical_formula_sum '[Rb2 Ba1 Cl6]'
_cell_volume [307.9624]
_cell_formula_units_Z [1]
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  0.2411  0.5945  0.7121  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.1213  0.6940  0.3204  1.0
  Cl  Cl3  2  0.3271  0.0858  0.5476  1.0
  Cl  Cl4  2  0.3674  0.2394  0.0644  1.0
]