data_[K4Cu2Hg2Cl12]
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 [P2_1/c]
_cell_length_a [7.6394]
_cell_length_b [7.2395]
_cell_length_c [12.4544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2CuHgCl6]
_chemical_formula_sum '[K4 Cu2 Hg2 Cl12]'
_cell_volume [564.4469]
_cell_formula_units_Z [2]
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  4  0.2438  0.5410  0.7469  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg2  2  0.5000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1326  0.5313  0.2178  1.0
  Cl  Cl4  4  0.2197  0.2474  0.0478  1.0
  Cl  Cl5  4  0.3655  0.7340  0.0427  1.0
]