data_[K8Ag4Hg4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4393]
_cell_length_b [19.0609]
_cell_length_c [14.0848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2AgHgBr5]
_chemical_formula_sum '[K8 Ag4 Hg4 Br20]'
_cell_volume [1191.8080]
_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  0.1067  0.6867  1.0
  K  K1  4  0.0000  0.1324  0.3105  1.0
  Ag  Ag2  4  0.0000  0.4510  0.4380  1.0
  Hg  Hg3  4  0.0000  0.2163  0.0233  1.0
  Br  Br4  4  0.0000  0.0691  0.0449  1.0
  Br  Br5  4  0.0000  0.2795  0.6637  1.0
  Br  Br6  4  0.0000  0.3021  0.3837  1.0
  Br  Br7  4  0.0000  0.3586  0.0044  1.0
  Br  Br8  4  0.0000  0.4933  0.7688  1.0
]