data_[Tb2Sm6Th2]
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 [P-1]
_cell_length_a [6.3050]
_cell_length_b [6.8781]
_cell_length_c [9.3225]
_cell_angle_alpha [71.0978]
_cell_angle_beta [89.9756]
_cell_angle_gamma [62.7768]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbSm3Th]
_chemical_formula_sum '[Tb2 Sm6 Th2]'
_cell_volume [334.8300]
_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  0.3675  0.0916  0.1515  1
  Sm  Sm1  2  0.1577  0.5025  0.7400  1
  Sm  Sm2  2  0.2251  0.7025  0.0417  1
  Sm  Sm3  2  0.4458  0.2957  0.4451  1
  Th  Th4  2  0.0229  0.0967  0.6518  1
]