data_[Rh2Se4S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6935]
_cell_length_b [5.9621]
_cell_length_c [9.7418]
_cell_angle_alpha [102.8363]
_cell_angle_beta [92.1772]
_cell_angle_gamma [96.8203]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RhSe2S]
_chemical_formula_sum '[Rh2 Se4 S2]'
_cell_volume [207.2242]
_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  0.1964  0.2206  0.5036  1
  Se  Se1  2  0.2908  0.6412  0.6374  1
  Se  Se2  2  0.2920  0.8528  0.3431  1
  S  S3  2  0.2336  0.0900  0.9892  1
]