data_[Rh6Se8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5356]
_cell_length_b [3.7050]
_cell_length_c [6.3658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rh3Se4]
_chemical_formula_sum '[Rh6 Se8]'
_cell_volume [263.2752]
_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  4  0.2307  0.5000  0.7051  1.0
  Rh  Rh1  2  0.0000  0.0000  0.0000  1.0
  Se  Se2  4  0.1163  0.0000  0.4490  1.0
  Se  Se3  4  0.1360  0.5000  0.9838  1.0
]