data_[K3Cu12Hg9Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [R32]
_cell_length_a [13.9013]
_cell_length_b [13.9013]
_cell_length_c [10.2070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KCu4(HgCl4)3]
_chemical_formula_sum '[K3 Cu12 Hg9 Cl36]'
_cell_volume [1708.2065]
_cell_formula_units_Z [3]
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
[
  K  K0  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  9  0.0000  0.4231  0.5000  1.0
  Cu  Cu2  3  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  9  0.0000  0.5629  0.0000  1.0
  Cl  Cl4  18  0.0467  0.2095  0.1880  1.0
  Cl  Cl5  9  0.0000  0.5867  0.5000  1.0
  Cl  Cl6  9  0.0000  0.8415  0.5000  1.0
]