data_[Sm24C9S12Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7579]
_cell_length_b [7.7579]
_cell_length_c [19.4657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm8C3S4Cl]
_chemical_formula_sum '[Sm24 C9 S12 Cl3]'
_cell_volume [1014.5846]
_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  0.0229  0.5115  0.2586  1.0
  Sm  Sm1  6  0.0000  0.0000  0.2611  1.0
  C  C2  9  0.0000  0.5000  0.0000  1.0
  S  S3  9  0.0000  0.5000  0.5000  1.0
  S  S4  3  -0.0000  -0.0000  0.5000  1.0
  Cl  Cl5  3  0.0000  0.0000  0.0000  1.0
]