data_Rh3I2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.5
_cell_angle_alpha   62.6
_cell_angle_beta   62.6
_cell_angle_gamma   62.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rh3I2
_chemical_formula_sum   'Rh6 I4'
_cell_volume   205.29
_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
  Rh  Rh4  1  0.81  0.4  0.7  1.0
  Rh  Rh5  1  0.38  0.0  0.7  1.0
  Rh  Rh6  1  0.81  0.6  0.7  1.0
  Rh  Rh7  1  0.19  0.4  0.9  1.0
  Rh  Rh8  1  0.62  0.0  0.9  1.0
  Rh  Rh9  1  0.19  0.6  0.9  1.0
  I  I0  1  0.0  0.0  0.02  1.0
  I  I1  1  0.0  0.0  0.78  1.0
  I  I2  1  0.0  0.0  0.82  1.0
  I  I3  1  0.0  0.0  0.58  1.0

data_Rh3I2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.5
_cell_length_b   6.5
_cell_length_c   6.5
_cell_angle_alpha   62.6
_cell_angle_beta   62.6
_cell_angle_gamma   62.6
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Rh3I2
_chemical_formula_sum   'Rh6 I4'
_cell_volume   205.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.38  0.9  1.0
  Rh  Rh1  2  0.4  0.19  0.1  1.0
  Rh  Rh2  2  0.4  0.81  0.9  1.0
  I  I3  2  0.0  0.0  0.02  1.0
  I  I4  2  0.0  0.0  0.22  1.0

Rh Rh Rh Rh Rh Rh I I I I