data_[K1Hg2Ru1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hg  2.0000  1.5000  1.2450
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7402]
_cell_length_b [7.7238]
_cell_length_c [8.0568]
_cell_angle_alpha [110.6220]
_cell_angle_beta [90.4138]
_cell_angle_gamma [99.4348]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KHg2RuCl8]
_chemical_formula_sum '[K1 Hg2 Ru1 Cl8]'
_cell_volume [386.2887]
_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  0.5000  0.5000  1.0
  Hg  Hg1  2  0.4876  0.0214  0.7456  1.0
  Ru  Ru2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1904  0.1515  0.2731  1.0
  Cl  Cl4  2  0.1926  0.2059  0.8827  1.0
  Cl  Cl5  2  0.2461  0.8015  0.9109  1.0
  Cl  Cl6  2  0.3672  0.7510  0.4203  1.0
]