data_[Tb6Sm2Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.6669]
_cell_length_b [3.5189]
_cell_length_c [11.5428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb3SmTh2]
_chemical_formula_sum '[Tb6 Sm2 Th4]'
_cell_volume [391.8085]
_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
[
  Tb  Tb0  2  0.0751  0.2500  0.1229  1
  Tb  Tb1  2  0.2383  0.2500  0.8611  1
  Tb  Tb2  2  0.3991  0.2500  0.6084  1
  Sm  Sm3  2  0.2414  0.7500  0.3578  1
  Th  Th4  2  0.0810  0.7500  0.6214  1
  Th  Th5  2  0.4412  0.2500  0.1255  1
]