data_[Ru4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.6521]
_cell_length_b [2.9920]
_cell_length_c [8.5839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RuCl]
_chemical_formula_sum '[Ru4 Cl4]'
_cell_volume [168.3480]
_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
[
  Ru  Ru0  2  0.0974  0.5000  0.3475  1
  Ru  Ru1  2  0.2833  0.0000  0.1789  1
  Cl  Cl2  2  0.2445  0.5000  0.9600  1
  Cl  Cl3  2  0.4329  0.5000  0.5400  1
]