data_[K8Li4Hg4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  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 [4.4398]
_cell_length_b [18.9014]
_cell_length_c [13.9883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2LiHgBr5]
_chemical_formula_sum '[K8 Li4 Hg4 Br20]'
_cell_volume [1173.8748]
_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  0.1101  0.6914  1.0
  K  K1  4  0.0000  0.1263  0.3135  1.0
  Li  Li2  4  0.0000  0.4309  0.4331  1.0
  Hg  Hg3  4  0.0000  0.2120  0.0252  1.0
  Br  Br4  4  0.0000  0.0658  0.0286  1.0
  Br  Br5  4  0.0000  0.2859  0.6648  1.0
  Br  Br6  4  0.0000  0.3015  0.3768  1.0
  Br  Br7  4  0.0000  0.3540  0.0079  1.0
  Br  Br8  4  0.0000  0.4997  0.2827  1.0
]