data_[K2Ru2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8955]
_cell_length_b [9.7140]
_cell_length_c [6.3756]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRuCl6]
_chemical_formula_sum '[K2 Ru2 Cl12]'
_cell_volume [455.4503]
_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  0.5000  0.5000  1
  Ru  Ru1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.1092  0.1683  0.2749  1
  Cl  Cl3  4  0.2232  0.5000  0.0495  1
]