data_[Na4Cu4Hg8Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.9993]
_cell_length_b [13.8788]
_cell_length_c [6.9044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCu(HgCl3)2]
_chemical_formula_sum '[Na4 Cu4 Hg8 Cl24]'
_cell_volume [1154.7927]
_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  0.0855  0.2500  1.0
  Cu  Cu1  4  0.0000  0.1753  0.7500  1.0
  Hg  Hg2  8  0.1505  0.4096  0.1405  1.0
  Cl  Cl3  8  0.1097  0.2387  0.0702  1.0
  Cl  Cl4  8  0.1219  0.0758  0.6696  1.0
  Cl  Cl5  8  0.1266  0.4209  0.5373  1.0
]