data_[Rh2Se4I2]
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 [P1]
_cell_length_a [5.0977]
_cell_length_b [6.7245]
_cell_length_c [7.0230]
_cell_angle_alpha [104.7307]
_cell_angle_beta [102.5316]
_cell_angle_gamma [105.0117]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RhSe2I]
_chemical_formula_sum '[Rh2 Se4 I2]'
_cell_volume [214.3303]
_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  1  0.2036  0.1091  0.7082  1
  Rh  Rh1  1  0.3516  0.9425  0.1784  1
  Se  Se2  1  0.4577  0.2782  0.4837  1
  Se  Se3  1  0.6239  0.1267  0.9858  1
  Se  Se4  1  0.8405  0.1510  0.4423  1
  Se  Se5  1  0.9234  0.8986  0.8872  1
  I  I6  1  0.1353  0.7357  0.4306  1
  I  I7  1  0.3665  0.5243  0.0028  1
]