data_[K2Hg12Bi4]
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 [C2/m]
_cell_length_a [9.4115]
_cell_length_b [11.6985]
_cell_length_c [5.1998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K(Hg3Bi)2]
_chemical_formula_sum '[K2 Hg12 Bi4]'
_cell_volume [570.8508]
_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  0.0000  0.0000  1
  Hg  Hg1  8  0.1590  0.3445  0.0721  1
  Hg  Hg2  4  0.0000  0.2012  0.5000  1
  Bi  Bi3  4  0.1607  0.5000  0.5516  1
]