data_[Cs4Rh4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.9170]
_cell_length_b [3.7380]
_cell_length_c [10.1231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsRhSe2]
_chemical_formula_sum '[Cs4 Rh4 Se8]'
_cell_volume [483.0394]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  2  0.1233  0.5000  0.3750  1.0
  Cs  Cs1  2  0.2832  0.0000  0.0348  1.0
  Rh  Rh2  2  0.4097  0.0000  0.5389  1.0
  Rh  Rh3  2  0.4515  0.5000  0.7680  1.0
  Se  Se4  2  0.0113  0.0000  0.0347  1.0
  Se  Se5  2  0.0647  0.5000  0.7547  1.0
  Se  Se6  2  0.3205  0.0000  0.7006  1.0
  Se  Se7  2  0.3887  0.5000  0.3735  1.0
]