data_[Rb2Hf2Tl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.8333]
_cell_length_b [6.8333]
_cell_length_c [9.2329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [RbHfTlF6]
_chemical_formula_sum '[Rb2 Hf2 Tl2 F12]'
_cell_volume [373.3657]
_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  2  0.3333  0.6667  0.7500  1.0
  Hf  Hf1  2  0.3333  0.6667  0.2500  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  F  F3  12  0.0917  0.4183  0.1276  1.0
]