data_[Cs3Ti3Hg6F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.9100]
_cell_length_b [5.9100]
_cell_length_c [22.6892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CsTiHg2F8]
_chemical_formula_sum '[Cs3 Ti3 Hg6 F24]'
_cell_volume [686.3260]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  0.0000  0.0000  0.0000  1
  Ti  Ti1  3  -0.0000  -0.0000  0.5000  1
  Hg  Hg2  6  0.0000  0.0000  0.2052  1
  F  F3  18  0.0233  0.5116  0.2129  1
  F  F4  6  0.0000  0.0000  0.2979  1
]