data_[K4Na8Hg4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  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 [13.8147]
_cell_length_b [16.4633]
_cell_length_c [8.4404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KNa2HgBr6]
_chemical_formula_sum '[K4 Na8 Hg4 Br24]'
_cell_volume [1676.4740]
_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  0.0993  0.7500  1.0
  Na  Na1  8  0.1276  0.4026  0.6054  1.0
  Hg  Hg2  4  0.0000  0.1627  0.2500  1.0
  Br  Br3  8  0.1007  0.4386  0.9271  1.0
  Br  Br4  8  0.1147  0.2290  0.5740  1.0
  Br  Br5  8  0.1387  0.0594  0.1993  1.0
]