data_[K10Hg12Bi2]
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 [Immm]
_cell_length_a [5.5661]
_cell_length_b [9.1611]
_cell_length_c [16.4433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K5Hg6Bi]
_chemical_formula_sum '[K10 Hg12 Bi2]'
_cell_volume [838.4654]
_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  4  0.0000  0.0000  0.3253  1
  K  K1  4  0.0000  0.5000  0.3440  1
  K  K2  2  0.0000  0.5000  0.0000  1
  Hg  Hg3  8  0.0000  0.2449  0.1511  1
  Hg  Hg4  4  0.0000  0.2425  0.5000  1
  Bi  Bi5  2  0.0000  0.0000  0.0000  1
]