data_[K8Sn8Hg4]
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 [C2/m]
_cell_length_a [12.3205]
_cell_length_b [5.3212]
_cell_length_c [12.2028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9109]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Sn2Hg]
_chemical_formula_sum '[K8 Sn8 Hg4]'
_cell_volume [713.3778]
_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  0.0814  0.5000  0.8787  1.0
  K  K1  4  0.1858  0.0000  0.6878  1.0
  Sn  Sn2  4  0.0946  0.5000  0.4583  1.0
  Sn  Sn3  4  0.1161  0.0000  0.0980  1.0
  Hg  Hg4  4  0.1277  0.0000  0.3495  1.0
]