data_[Rb4H2Cl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [6.3645]
_cell_length_b [6.3645]
_cell_length_c [8.4184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Rb2HClF6]
_chemical_formula_sum '[Rb4 H2 Cl2 F12]'
_cell_volume [341.0017]
_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  4  0.0000  0.5000  0.2500  1.0
  H  H1  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.2042  0.2042  0.0000  1.0
  F  F4  4  0.0000  0.0000  0.3616  1.0
]