data_[Sm1Tm8Th2]
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 [P-1]
_cell_length_a [6.0893]
_cell_length_b [7.8851]
_cell_length_c [7.8861]
_cell_angle_alpha [107.4479]
_cell_angle_beta [104.9641]
_cell_angle_gamma [97.6129]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm(Tm4Th)2]
_chemical_formula_sum '[Sm1 Tm8 Th2]'
_cell_volume [339.8065]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.0000  1
  Tm  Tm1  2  0.0527  0.9096  0.1865  1
  Tm  Tm2  2  0.1407  0.7290  0.5437  1
  Tm  Tm3  2  0.2317  0.5430  0.9121  1
  Tm  Tm4  2  0.3192  0.3645  0.2752  1
  Th  Th5  2  0.4096  0.1819  0.6326  1
]