data_[Cs4Fe8Hg4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.1629]
_cell_length_b [16.1500]
_cell_length_c [6.5351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsFe2HgBr6]
_chemical_formula_sum '[Cs4 Fe8 Hg4 Br24]'
_cell_volume [1702.2206]
_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  0.0000  0.2150  0.7500  1
  Fe  Fe1  8  0.2213  0.0752  0.1695  1
  Hg  Hg2  4  0.0000  0.3956  0.2500  1
  Br  Br3  8  0.1261  0.1760  0.2632  1
  Br  Br4  8  0.1379  0.3996  0.7639  1
  Br  Br5  8  0.1895  0.0651  0.7894  1
]