data_[K8Sn4Hg8]
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/c]
_cell_length_a [11.5319]
_cell_length_b [6.7614]
_cell_length_c [9.1604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2SnHg2]
_chemical_formula_sum '[K8 Sn4 Hg8]'
_cell_volume [695.6059]
_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  0.1493  0.3731  0.1511  1.0
  Sn  Sn1  4  0.0000  0.1419  0.7500  1.0
  Hg  Hg2  8  0.1339  0.1286  0.4943  1.0
]