data_[Sm8Th4Sc8]
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 [Cmc2_1]
_cell_length_a [5.2898]
_cell_length_b [16.4034]
_cell_length_c [6.8184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2ThSc2]
_chemical_formula_sum '[Sm8 Th4 Sc8]'
_cell_volume [591.6324]
_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  0.0014  0.6840  1
  Sm  Sm1  4  0.0000  0.2017  0.1665  1
  Th  Th2  4  0.0000  0.3927  0.9251  1
  Sc  Sc3  4  0.0000  0.1985  0.6695  1
  Sc  Sc4  4  0.0000  0.3877  0.4205  1
]