data_[K12Hg4Bi4]
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 [Ima2]
_cell_length_a [11.1148]
_cell_length_b [10.0222]
_cell_length_c [9.4912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [K3HgBi]
_chemical_formula_sum '[K12 Hg4 Bi4]'
_cell_volume [1057.2747]
_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  8  0.0566  0.1979  0.6852  1
  K  K1  4  0.2500  0.5950  0.5191  1
  Hg  Hg2  4  0.2500  0.0448  0.3656  1
  Bi  Bi3  4  0.2500  0.5810  0.1533  1
]