data_[Rh1I3]
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 [P1]
_cell_length_a [3.6660]
_cell_length_b [18.4838]
_cell_length_c [18.4838]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RhI3]
_chemical_formula_sum '[Rh1 I3]'
_cell_volume [1084.6991]
_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
[
  Rh  Rh0  1  0.8956  0.4859  0.4352  1
  I  I1  1  0.3955  0.4833  0.3335  1
  I  I2  1  0.3957  0.4629  0.5183  1
  I  I3  1  0.9116  0.5679  0.7130  1
]