data_[Cu8Ru4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.0241]
_cell_length_b [10.9892]
_cell_length_c [6.2852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5568]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2RuCl6]
_chemical_formula_sum '[Cu8 Ru4 Cl24]'
_cell_volume [962.2930]
_cell_formula_units_Z [4]
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
[
  Cu  Cu0  8  0.1104  0.4128  0.7784  1.0
  Ru  Ru1  4  0.0000  0.0828  0.7500  1.0
  Cl  Cl2  8  0.0919  0.0681  0.0907  1.0
  Cl  Cl3  8  0.1048  0.2289  0.6362  1.0
  Cl  Cl4  8  0.1275  0.4091  0.1338  1.0
]