data_[K8Hg8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [7.9494]
_cell_length_b [8.2742]
_cell_length_c [10.2249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [KHg]
_chemical_formula_sum '[K8 Hg8]'
_cell_volume [672.5416]
_cell_formula_units_Z [8]
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  0.0791  0.1075  0.5198  1.0
  K  K1  4  0.1703  0.6502  0.3486  1.0
  Hg  Hg2  4  0.0347  0.0014  0.8715  1.0
  Hg  Hg3  4  0.2311  0.7502  0.7054  1.0
]