data_[K3Rb6Hg6Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4493]
_cell_length_b [5.4493]
_cell_length_c [33.2205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [KRb2(HgBi)2]
_chemical_formula_sum '[K3 Rb6 Hg6 Bi6]'
_cell_volume [854.3161]
_cell_formula_units_Z [3]
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
[
  Rb  Rb0  6  0.0000  0.0000  0.1280  1.0
  K  K1  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  6  0.0000  0.0000  0.3955  1.0
  Bi  Bi3  6  0.0000  0.0000  0.2627  1.0
]