data_[K2Hg2Bi2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1624]
_cell_length_b [4.3465]
_cell_length_c [10.1559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KHgBiSe3]
_chemical_formula_sum '[K2 Hg2 Bi2 Se6]'
_cell_volume [392.9467]
_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  0.1924  0.2500  0.2375  1.0
  Hg  Hg1  2  0.0983  0.2500  0.6136  1.0
  Bi  Bi2  2  0.3359  0.7500  0.8708  1.0
  Se  Se3  2  0.1167  0.2500  0.8812  1.0
  Se  Se4  2  0.2204  0.7500  0.5199  1.0
  Se  Se5  2  0.4403  0.7500  0.1486  1.0
]