data_[K1Rb1Hg2Bi2]
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 [P3m1]
_cell_length_a [5.0811]
_cell_length_b [5.0811]
_cell_length_c [10.8062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [KRb(HgBi)2]
_chemical_formula_sum '[K1 Rb1 Hg2 Bi2]'
_cell_volume [241.6140]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.2553  1
  Rb  Rb1  1  0.0000  0.0000  0.7532  1
  Hg  Hg2  1  0.3333  0.6667  0.4761  1
  Hg  Hg3  1  0.6667  0.3333  0.9867  1
  Bi  Bi4  1  0.3333  0.6667  0.0193  1
  Bi  Bi5  1  0.6667  0.3333  0.5094  1
]