data_[Fe4Rh2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8605]
_cell_length_b [9.3362]
_cell_length_c [6.8449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2RhI8]
_chemical_formula_sum '[Fe4 Rh2 I16]'
_cell_volume [948.1676]
_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  4  0.1633  0.0000  0.4228  1.0
  Rh  Rh1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0751  0.2054  0.2376  1.0
  I  I3  4  0.1556  0.0000  0.7977  1.0
  I  I4  4  0.1717  0.5000  0.6353  1.0
]