data_[Rh2Se2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7709]
_cell_length_b [3.7491]
_cell_length_c [6.7782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RhSeI]
_chemical_formula_sum '[Rh2 Se2 I2]'
_cell_volume [171.0241]
_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  0.4957  0.7500  0.7656  1
  Se  Se1  2  0.3157  0.2500  0.9046  1
  I  I2  2  0.2685  0.7500  0.3967  1
]