data_[K1Sn2Hg1Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7364]
_cell_length_b [6.8656]
_cell_length_c [8.6598]
_cell_angle_alpha [90.6978]
_cell_angle_beta [91.8795]
_cell_angle_gamma [91.9990]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSn2HgCl8]
_chemical_formula_sum '[K1 Sn2 Hg1 Cl8]'
_cell_volume [400.0145]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn1  2  0.4952  0.4866  0.7549  1.0
  Hg  Hg2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2074  0.1387  0.2018  1.0
  Cl  Cl4  2  0.2841  0.1776  0.7564  1.0
  Cl  Cl5  2  0.2875  0.6413  0.9889  1.0
  Cl  Cl6  2  0.2929  0.6360  0.5025  1.0
]