data_[Cs2In2Hg1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.6264]
_cell_length_b [7.8886]
_cell_length_c [8.1598]
_cell_angle_alpha [64.6512]
_cell_angle_beta [67.3868]
_cell_angle_gamma [87.9900]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cs2In2HgF6]
_chemical_formula_sum '[Cs2 In2 Hg1 F6]'
_cell_volume [404.5628]
_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  0.2366  0.6504  0.5417  1.0
  In  In1  2  0.1446  0.0754  0.8127  1.0
  Hg  Hg2  1  0.5000  0.5000  0.0000  1.0
  F  F3  2  0.0780  0.2648  0.5848  1.0
  F  F4  2  0.2762  0.8903  0.7101  1.0
  F  F5  2  0.3671  0.2648  0.7503  1.0
]