data_[Sm8Th2Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3700]
_cell_length_b [5.8000]
_cell_length_c [6.8755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4ThSc]
_chemical_formula_sum '[Sm8 Th2 Sc2]'
_cell_volume [381.7116]
_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  4  0.1538  0.5000  0.9935  1
  Sm  Sm1  4  0.1920  0.5000  0.5338  1
  Th  Th2  2  0.0000  0.0000  0.5000  1
  Sc  Sc3  2  0.0000  0.0000  0.0000  1
]