data_[K16Hg2Bi4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.5225]
_cell_length_b [6.1274]
_cell_length_c [8.8313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K8HgBi2]
_chemical_formula_sum '[K16 Hg2 Bi4]'
_cell_volume [1071.6872]
_cell_formula_units_Z [2]
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  0.0216  0.0000  0.7602  1.0
  K  K1  4  0.1053  0.5000  0.4488  1.0
  K  K2  4  0.1730  0.5000  0.9411  1.0
  K  K3  4  0.2055  0.0000  0.3012  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi5  4  0.1738  0.0000  0.6765  1.0
]