data_[K2Sn2Hg12]
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 [15.2189]
_cell_length_b [5.1475]
_cell_length_c [6.9812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSnHg6]
_chemical_formula_sum '[K2 Sn2 Hg12]'
_cell_volume [487.3662]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Sn  Sn1  2  0.0000  0.5000  0.5000  1
  Hg  Hg2  4  0.1259  0.0000  0.6355  1
  Hg  Hg3  4  0.1763  0.5000  0.9587  1
  Hg  Hg4  4  0.1810  0.5000  0.4090  1
]