data_[Ru1I3Cl3]
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 [P2]
_cell_length_a [3.8312]
_cell_length_b [18.3920]
_cell_length_c [12.7718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Ru(ICl)3]
_chemical_formula_sum '[Ru1 I3 Cl3]'
_cell_volume [899.7948]
_cell_formula_units_Z [1]
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  1  0.5000  0.4985  0.5000  1
  I  I1  2  0.0132  0.5064  0.1058  1
  I  I2  1  0.0000  0.3991  0.5000  1
  Cl  Cl3  2  0.4951  0.5013  0.3189  1
  Cl  Cl4  1  0.0000  0.5836  0.5000  1
]