data_[Ru2I4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8197]
_cell_length_b [7.0665]
_cell_length_c [7.4283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ru(ICl4)2]
_chemical_formula_sum '[Ru2 I4 Cl16]'
_cell_volume [774.9769]
_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
[
  Ru  Ru0  2  0.0000  0.0000  0.0000  1
  I  I1  4  0.2498  0.0000  0.4642  1
  Cl  Cl2  8  0.0997  0.2281  0.9817  1
  Cl  Cl3  4  0.0681  0.0000  0.3447  1
  Cl  Cl4  4  0.0889  0.5000  0.4288  1
]