data_[Cu2Ru2Cl8]
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 [P2_1/m]
_cell_length_a [12.8674]
_cell_length_b [3.5203]
_cell_length_c [18.5013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuRuCl4]
_chemical_formula_sum '[Cu2 Ru2 Cl8]'
_cell_volume [838.0439]
_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  2  0.1109  0.7500  0.5184  1
  Ru  Ru1  2  0.3816  0.2500  0.5172  1
  Cl  Cl2  2  0.0337  0.2500  0.5826  1
  Cl  Cl3  2  0.2167  0.2500  0.4635  1
  Cl  Cl4  2  0.3308  0.7500  0.5946  1
  Cl  Cl5  2  0.4420  0.7500  0.4365  1
]