data_[Tb7Sm1Th3]
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 [P3m1]
_cell_length_a [7.0938]
_cell_length_b [7.0938]
_cell_length_c [8.5874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb7SmTh3]
_chemical_formula_sum '[Tb7 Sm1 Th3]'
_cell_volume [374.2408]
_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
[
  Tb  Tb0  3  0.1679  0.8321  0.1129  1
  Tb  Tb1  3  0.3364  0.1682  0.4528  1
  Tb  Tb2  1  0.6667  0.3333  0.1105  1
  Sm  Sm3  1  0.3333  0.6667  0.4566  1
  Th  Th4  3  0.5005  0.0011  0.7837  1
]