data_[Sm6H72C18]
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
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [6.7945]
_cell_length_b [6.7945]
_cell_length_c [27.9453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Sm(H4C)3]
_chemical_formula_sum '[Sm6 H72 C18]'
_cell_volume [1117.2651]
_cell_formula_units_Z [6]
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  0.0000  1
  H  H1  36  0.0160  0.4728  0.5945  1
  H  H2  36  0.0558  0.4982  0.2806  1
  C  C3  18  0.0000  0.3783  0.2500  1
]