data_[Sm12Tm6Th2]
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 [P2_1/m]
_cell_length_a [13.1540]
_cell_length_b [3.5293]
_cell_length_c [14.3859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm6Tm3Th]
_chemical_formula_sum '[Sm12 Tm6 Th2]'
_cell_volume [656.5038]
_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  2  0.1234  0.2500  0.4842  1
  Sm  Sm1  2  0.1899  0.7500  0.9209  1
  Sm  Sm2  2  0.2217  0.7500  0.2870  1
  Sm  Sm3  2  0.2720  0.7500  0.7026  1
  Sm  Sm4  2  0.3461  0.2500  0.1201  1
  Sm  Sm5  2  0.4999  0.7500  0.3101  1
  Tm  Tm6  2  0.0742  0.2500  0.0991  1
  Tm  Tm7  2  0.3763  0.7500  0.4990  1
  Tm  Tm8  2  0.4228  0.2500  0.9044  1
  Th  Th9  2  0.0349  0.2500  0.7234  1
]