data_[Na4Cu8Hg4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [14.7292]
_cell_length_b [14.0546]
_cell_length_c [7.7051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCu2HgI6]
_chemical_formula_sum '[Na4 Cu8 Hg4 I24]'
_cell_volume [1521.7075]
_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
[
  Na  Na0  4  0.0000  0.1019  0.2500  1.0
  Cu  Cu1  8  0.1898  0.4342  0.2457  1.0
  Hg  Hg2  4  0.0000  0.2358  0.7500  1.0
  I  I3  8  0.1226  0.2659  0.0956  1.0
  I  I4  8  0.1247  0.0774  0.6534  1.0
  I  I5  8  0.1350  0.4257  0.5318  1.0
]