data_[Cs4Cu8Hg4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0675]
_cell_length_b [18.2961]
_cell_length_c [7.2908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsCu2HgI6]
_chemical_formula_sum '[Cs4 Cu8 Hg4 I24]'
_cell_volume [1870.2956]
_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  0.1058  0.2500  1.0
  Cu  Cu1  8  0.1889  0.4263  0.2206  1.0
  Hg  Hg2  4  0.0000  0.3608  0.7500  1.0
  I  I3  8  0.1156  0.3095  0.0588  1.0
  I  I4  8  0.1263  0.0930  0.7551  1.0
  I  I5  8  0.1531  0.4445  0.5690  1.0
]