data_[Sm4Th8Sc10]
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 [17.5814]
_cell_length_b [3.4765]
_cell_length_c [10.3564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Th4Sc5]
_chemical_formula_sum '[Sm4 Th8 Sc10]'
_cell_volume [632.6273]
_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  0.0980  0.5000  0.4601  1
  Th  Th1  4  0.0428  0.0000  0.7310  1
  Th  Th2  4  0.1813  0.5000  0.9078  1
  Sc  Sc3  4  0.1365  0.0000  0.1708  1
  Sc  Sc4  4  0.2297  0.0000  0.6485  1
  Sc  Sc5  2  0.0000  0.5000  0.0000  1
]