data_[K3Cu2Hg1Cl8]
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 [P-3m1]
_cell_length_a [7.2397]
_cell_length_b [7.2397]
_cell_length_c [8.9763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [K3Cu2HgCl8]
_chemical_formula_sum '[K3 Cu2 Hg1 Cl8]'
_cell_volume [407.4441]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.3853  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.3333  0.6667  0.8086  1.0
  Hg  Hg3  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  6  0.1701  0.3402  0.6851  1.0
  Cl  Cl5  2  0.3333  0.6667  0.0504  1.0
]