data_[Rb4Tl2H2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1524]
_cell_length_b [10.0707]
_cell_length_c [5.6489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Rb2TlHF6]
_chemical_formula_sum '[Rb4 Tl2 H2 F12]'
_cell_volume [351.6513]
_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  0.4963  0.2104  0.4988  1.0
  Tl  Tl1  2  0.4862  0.5000  0.0002  1.0
  H  H2  2  0.4935  0.0000  0.0048  1.0
  F  F3  4  0.0057  0.2127  0.0045  1.0
  F  F4  2  0.1373  0.5000  0.9291  1.0
  F  F5  2  0.1895  0.0000  0.4339  1.0
  F  F6  2  0.3191  0.5000  0.5637  1.0
  F  F7  2  0.3763  0.0000  0.0664  1.0
]