data_[Sm8Tm6Th2]
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 [Pmn2_1]
_cell_length_a [11.4369]
_cell_length_b [7.2853]
_cell_length_c [6.2579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm4Tm3Th]
_chemical_formula_sum '[Sm8 Tm6 Th2]'
_cell_volume [521.4158]
_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  0.2497  0.8713  0.4900  1
  Sm  Sm1  2  0.0000  0.1344  0.6474  1
  Sm  Sm2  2  0.0000  0.8677  0.1411  1
  Tm  Tm3  4  0.2498  0.6173  0.9755  1
  Tm  Tm4  2  0.0000  0.6192  0.6485  1
  Th  Th5  2  0.0000  0.3790  0.1473  1
]