data_[Cu8Ag4Hg4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  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 [14.8694]
_cell_length_b [14.8251]
_cell_length_c [7.6874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2AgHgI6]
_chemical_formula_sum '[Cu8 Ag4 Hg4 I24]'
_cell_volume [1545.5506]
_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
[
  Cu  Cu0  8  0.1963  0.4316  0.2577  1.0
  Ag  Ag1  4  0.0000  0.1832  0.2500  1.0
  Hg  Hg2  4  0.0000  0.2028  0.7500  1.0
  I  I3  8  0.1125  0.0868  0.5952  1.0
  I  I4  8  0.1309  0.2683  0.1133  1.0
  I  I5  8  0.1353  0.4382  0.5248  1.0
]