data_[K4Cu8Hg4Br24]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9104]
_cell_length_b [13.8394]
_cell_length_c [7.6459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6245]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCu2HgBr6]
_chemical_formula_sum '[K4 Cu8 Hg4 Br24]'
_cell_volume [1394.8376]
_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
[
  K  K0  4  0.0000  0.1116  0.2500  1.0
  Cu  Cu1  8  0.1975  0.4459  0.2221  1.0
  Hg  Hg2  4  0.0000  0.2486  0.7500  1.0
  Br  Br3  8  0.1165  0.2822  0.0748  1.0
  Br  Br4  8  0.1236  0.0854  0.6842  1.0
  Br  Br5  8  0.1464  0.4331  0.4907  1.0
]