data_[Cs4Fe2Hg2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0211]
_cell_length_b [7.6563]
_cell_length_c [7.6603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.9052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2FeHgCl6]
_chemical_formula_sum '[Cs4 Fe2 Hg2 Cl12]'
_cell_volume [618.5744]
_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  0.2499  0.0000  0.7496  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  8  0.0033  0.2183  0.7851  1.0
  Cl  Cl4  4  0.2332  0.5000  0.7256  1.0
]