data_[Ru4I8]
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 [P2_1/c]
_cell_length_a [7.3385]
_cell_length_b [7.4169]
_cell_length_c [7.2681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RuI2]
_chemical_formula_sum '[Ru4 I8]'
_cell_volume [348.4345]
_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  4  0.2311  0.1291  0.9734  1
  I  I1  4  0.0188  0.6834  0.3606  1
  I  I2  4  0.4264  0.0747  0.7356  1
]