data_[Sm24H3C9I9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.6520]
_cell_length_b [7.6520]
_cell_length_c [22.4484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm8H(CI)3]
_chemical_formula_sum '[Sm24 H3 C9 I9]'
_cell_volume [1138.3238]
_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  0.0264  0.5132  0.7716  1
  Sm  Sm1  6  0.0000  0.0000  0.2254  1
  H  H2  3  0.0000  0.0000  0.5000  1
  C  C3  9  0.0000  0.5000  0.5000  1
  I  I4  9  0.0000  0.5000  0.0000  1
]