data_[Sm24Se9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3601]
_cell_length_b [5.3601]
_cell_length_c [36.9859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm8Se3]
_chemical_formula_sum '[Sm24 Se9]'
_cell_volume [920.2615]
_cell_formula_units_Z [3]
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
[
  Sm  Sm0  6  0.0000  0.0000  0.0789  1
  Sm  Sm1  6  0.0000  0.0000  0.1792  1
  Sm  Sm2  6  0.0000  0.0000  0.3577  1
  Sm  Sm3  6  0.0000  0.0000  0.4551  1
  Se  Se4  6  0.0000  0.0000  0.2700  1
  Se  Se5  3  0.0000  0.0000  0.0000  1
]