data_[K6Ru2Cl12]
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 [P2_1/c]
_cell_length_a [7.3436]
_cell_length_b [7.5882]
_cell_length_c [12.6772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3RuCl6]
_chemical_formula_sum '[K6 Ru2 Cl12]'
_cell_volume [581.0091]
_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  4  0.2222  0.5728  0.2452  1.0
  K  K1  2  0.5000  0.0000  0.5000  1.0
  Ru  Ru2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1033  0.7345  0.9444  1.0
  Cl  Cl4  4  0.2143  0.1700  0.9465  1.0
  Cl  Cl5  4  0.3179  0.5271  0.7141  1.0
]