data_[Rh2S2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6176]
_cell_length_b [3.6219]
_cell_length_c [7.3729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RhSI]
_chemical_formula_sum '[Rh2 S2 I2]'
_cell_volume [160.0239]
_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  Rh0  2  0.2768  0.2500  0.5051  1.0
  S  S1  2  0.4925  0.2500  0.3261  1.0
  I  I2  2  0.0389  0.2500  0.7389  1.0
]