data_[K2Sn6Hg2]
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 [Pmn2_1]
_cell_length_a [6.6731]
_cell_length_b [6.8787]
_cell_length_c [6.8755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KSn3Hg]
_chemical_formula_sum '[K2 Sn6 Hg2]'
_cell_volume [315.6007]
_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  0.7578  0.5225  1.0
  Sn  Sn1  4  0.2472  0.2513  0.5277  1.0
  Sn  Sn2  2  0.0000  0.3952  0.1691  1.0
  Hg  Hg3  2  0.0000  0.0923  0.8751  1.0
]