data_[Cu4Ru2Cl16]
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/m]
_cell_length_a [13.0185]
_cell_length_b [7.8849]
_cell_length_c [5.9262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2RuCl8]
_chemical_formula_sum '[Cu4 Ru2 Cl16]'
_cell_volume [605.1695]
_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
[
  Cu  Cu0  4  0.1767  0.0000  0.6339  1.0
  Ru  Ru1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0724  0.2068  0.7749  1.0
  Cl  Cl3  4  0.1543  0.0000  0.2410  1.0
  Cl  Cl4  4  0.1587  0.5000  0.2813  1.0
]