data_[Fe2Ru2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ru  2.2000  1.3000  0.6610
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9168]
_cell_length_b [13.0766]
_cell_length_c [6.9053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeRuI6]
_chemical_formula_sum '[Fe2 Ru2 I12]'
_cell_volume [583.5625]
_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
[
  Fe  Fe0  2  0.0000  0.5000  0.5000  1
  Ru  Ru1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.2500  0.3574  0.7508  1
  I  I3  4  0.2366  0.0000  0.7602  1
]