data_[Sm2Th10C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.1929]
_cell_length_b [3.7034]
_cell_length_c [7.5912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmTh5C4]
_chemical_formula_sum '[Sm2 Th10 C8]'
_cell_volume [443.8112]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Th  Th1  4  0.1601  0.0000  0.3079  1
  Th  Th2  4  0.1626  0.0000  0.8444  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  C  C4  4  0.0044  0.0000  0.2612  1
  C  C5  4  0.1701  0.5000  0.0833  1
]