data_[Sm8Tm10Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.3238]
_cell_length_b [3.6822]
_cell_length_c [8.2501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4Tm5Th]
_chemical_formula_sum '[Sm8 Tm10 Th2]'
_cell_volume [642.2364]
_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  0.1101  0.0000  0.3293  1
  Sm  Sm1  4  0.1848  0.5000  0.0530  1
  Tm  Tm2  4  0.0937  0.0000  0.7576  1
  Tm  Tm3  4  0.2173  0.5000  0.6412  1
  Tm  Tm4  2  0.0000  0.5000  0.5000  1
  Th  Th5  2  0.0000  0.5000  0.0000  1
]