data_[K2In12Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.4889]
_cell_length_b [10.1738]
_cell_length_c [11.3694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K(InHg)6]
_chemical_formula_sum '[K2 In12 Hg12]'
_cell_volume [750.5677]
_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  1.0
  In  In1  8  0.2500  0.2500  0.2500  1.0
  In  In2  4  0.0000  0.2567  0.5000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.3393  1.0
  Hg  Hg4  4  0.0000  0.3482  0.0000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.3211  1.0
]