data_[Rh4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [19.1932]
_cell_length_b [6.7756]
_cell_length_c [14.7398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [RhI3]
_chemical_formula_sum '[Rh4 I12]'
_cell_volume [1916.8306]
_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
[
  Rh  Rh0  4  0.4999  0.1358  0.7500  1
  I  I1  8  0.4454  0.1136  0.1272  1
  I  I2  4  0.3908  0.6147  0.2500  1
]