data_[K2Hg12Bi2]
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 [Amm2]
_cell_length_a [5.4515]
_cell_length_b [8.4978]
_cell_length_c [10.0624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [KHg6Bi]
_chemical_formula_sum '[K2 Hg12 Bi2]'
_cell_volume [466.1459]
_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  2  0.5000  0.0000  0.1013  1
  Hg  Hg1  4  0.0000  0.2210  0.5931  1
  Hg  Hg2  4  0.5000  0.1864  0.4036  1
  Hg  Hg3  2  0.0000  0.0000  0.3225  1
  Hg  Hg4  2  0.0000  0.0000  0.8725  1
  Bi  Bi5  2  0.5000  0.0000  0.7104  1
]