data_[Ru1I6]
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
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [10.5145]
_cell_length_b [10.5145]
_cell_length_c [18.0347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [RuI6]
_chemical_formula_sum '[Ru1 I6]'
_cell_volume [1726.6914]
_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  0.0000  0.0000  0.4983  1
  I  I1  3  0.0000  0.5000  0.5286  1
  I  I2  2  0.3333  0.6667  0.5278  1
  I  I3  1  0.0000  0.0000  0.3603  1
]