data_[K1Hg2Bi1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6987]
_cell_length_b [6.8435]
_cell_length_c [8.9488]
_cell_angle_alpha [82.1662]
_cell_angle_beta [75.6125]
_cell_angle_gamma [88.0884]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KHg2BiCl8]
_chemical_formula_sum '[K1 Hg2 Bi1 Cl8]'
_cell_volume [393.6609]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Hg  Hg1  2  0.4701  0.4800  0.7340  1.0
  Bi  Bi2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2146  0.8227  0.1981  1.0
  Cl  Cl4  2  0.2409  0.3431  0.9753  1.0
  Cl  Cl5  2  0.2579  0.8604  0.7522  1.0
  Cl  Cl6  2  0.2674  0.3896  0.4879  1.0
]