data_[K8Sn12Hg20]
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 [Ibam]
_cell_length_a [12.5143]
_cell_length_b [14.1245]
_cell_length_c [7.0376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K2Sn3Hg5]
_chemical_formula_sum '[K8 Sn12 Hg20]'
_cell_volume [1243.9531]
_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  8  0.2345  0.3693  0.0000  1.0
  Sn  Sn1  8  0.1129  0.3644  0.5000  1.0
  Sn  Sn2  4  0.0000  0.0000  0.2500  1.0
  Hg  Hg3  8  0.0000  0.2254  0.2500  1.0
  Hg  Hg4  8  0.1584  0.1086  0.0000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.2500  1.0
]