data_[Cs2Hg2F6]
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 [P2_1/m]
_cell_length_a [7.6514]
_cell_length_b [3.8983]
_cell_length_c [8.0592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHgF3]
_chemical_formula_sum '[Cs2 Hg2 F6]'
_cell_volume [227.4169]
_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  2  0.2123  0.2500  0.2777  1.0
  Hg  Hg1  2  0.3181  0.7500  0.8302  1.0
  F  F2  2  0.1308  0.2500  0.8458  1.0
  F  F3  2  0.3087  0.7500  0.5657  1.0
  F  F4  2  0.4260  0.7500  0.1166  1.0
]