data_[Cs3K2Hg1F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.8912]
_cell_length_b [6.8912]
_cell_length_c [8.3977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs3K2HgF9]
_chemical_formula_sum '[Cs3 K2 Hg1 F9]'
_cell_volume [345.3707]
_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
[
  Cs  Cs0  2  0.3333  0.6667  0.2767  1.0
  Cs  Cs1  1  0.0000  0.0000  0.0000  1.0
  K  K2  2  0.3333  0.6667  0.8152  1.0
  Hg  Hg3  1  0.0000  0.0000  0.5000  1.0
  F  F4  6  0.1469  0.8531  0.6511  1.0
  F  F5  3  0.0000  0.5000  0.0000  1.0
]