data_[K4Hg4Bi4]
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 [Cm]
_cell_length_a [8.7306]
_cell_length_b [5.0417]
_cell_length_c [11.3475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KHgBi]
_chemical_formula_sum '[K4 Hg4 Bi4]'
_cell_volume [481.5199]
_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  2  0.0954  0.5000  0.7731  1.0
  K  K1  2  0.4298  0.0000  0.2924  1.0
  Hg  Hg2  2  0.1875  0.0000  0.5559  1.0
  Hg  Hg3  2  0.1940  0.5000  0.0926  1.0
  Bi  Bi4  2  0.0098  0.0000  0.0411  1.0
  Bi  Bi5  2  0.3435  0.5000  0.5248  1.0
]