data_[Cs4Hg6F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8605]
_cell_length_b [7.3825]
_cell_length_c [6.2823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Hg3F8]
_chemical_formula_sum '[Cs4 Hg6 F16]'
_cell_volume [603.5420]
_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
[
  Cs  Cs0  4  0.2176  0.5000  0.6718  1.0
  Hg  Hg1  4  0.0000  0.2562  0.0000  1.0
  Hg  Hg2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.0945  0.2116  0.3821  1.0
  F  F4  4  0.0900  0.0000  0.9097  1.0
  F  F5  4  0.1065  0.5000  0.9966  1.0
]