data_[Sm4Th4Sc12]
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 [17.0725]
_cell_length_b [3.2504]
_cell_length_c [10.6988]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmThSc3]
_chemical_formula_sum '[Sm4 Th4 Sc12]'
_cell_volume [566.9151]
_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  0.1016  0.0000  0.0563  1
  Th  Th1  4  0.1038  0.5000  0.5476  1
  Sc  Sc2  4  0.0076  0.0000  0.7342  1
  Sc  Sc3  4  0.1971  0.5000  0.8651  1
  Sc  Sc4  4  0.1991  0.0000  0.3684  1
]