data_[Cs8Hg4F4]
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 [14.8421]
_cell_length_b [4.2972]
_cell_length_c [10.5560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8694]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2HgF]
_chemical_formula_sum '[Cs8 Hg4 F4]'
_cell_volume [647.5973]
_cell_formula_units_Z [4]
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  0.0690  0.5000  0.2030  1.0
  Cs  Cs1  4  0.1689  0.5000  0.6091  1.0
  Hg  Hg2  4  0.1792  0.0000  0.9442  1.0
  F  F3  4  0.1414  0.0000  0.4066  1.0
]