data_[Sm4Tm12C32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.2834]
_cell_length_b [9.5594]
_cell_length_c [8.0600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [SmTm3C8]
_chemical_formula_sum '[Sm4 Tm12 C32]'
_cell_volume [715.2757]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0020  1
  Tm  Tm1  8  0.2500  0.2500  0.2695  1
  Tm  Tm2  4  0.0000  0.0000  0.4973  1
  C  C3  8  0.0000  0.1695  0.2611  1
  C  C4  8  0.0000  0.2475  0.6324  1
  C  C5  8  0.1697  0.0000  0.7307  1
  C  C6  8  0.2432  0.0000  0.3569  1
]