data_[K4Ba2Hg2Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.2112]
_cell_length_b [10.2493]
_cell_length_c [8.8445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [K2BaHgBi2]
_chemical_formula_sum '[K4 Ba2 Hg2 Bi4]'
_cell_volume [472.3948]
_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  0.0000  0.1634  0.6471  1.0
  K  K1  2  0.5000  0.0843  0.9780  1.0
  Ba  Ba2  2  0.0000  0.4557  0.0049  1.0
  Hg  Hg3  2  0.5000  0.3224  0.3481  1.0
  Bi  Bi4  2  0.0000  0.1771  0.2563  1.0
  Bi  Bi5  2  0.5000  0.3843  0.7200  1.0
]