data_[Sm24Sb3Te12Se9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.6606]
_cell_length_b [8.6606]
_cell_length_c [21.5727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm8SbTe4Se3]
_chemical_formula_sum '[Sm24 Sb3 Te12 Se9]'
_cell_volume [1401.3170]
_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  18  0.0116  0.5058  0.2587  1
  Sm  Sm1  6  0.0000  0.0000  0.2610  1
  Sb  Sb2  3  -0.0000  -0.0000  0.0000  1
  Te  Te3  9  0.0000  0.5000  0.5000  1
  Te  Te4  3  -0.0000  -0.0000  0.5000  1
  Se  Se5  9  0.0000  0.5000  0.0000  1
]