data_[K4Sn4Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7119]
_cell_length_b [5.2029]
_cell_length_c [11.0217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KSnHg2]
_chemical_formula_sum '[K4 Sn4 Hg8]'
_cell_volume [499.5822]
_cell_formula_units_Z [4]
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  0.1778  0.7500  0.6872  1.0
  Sn  Sn1  4  0.0085  0.2500  0.9261  1.0
  Hg  Hg2  4  0.1190  0.7500  0.3380  1.0
  Hg  Hg3  4  0.1748  0.2500  0.4789  1.0
]