data_[La1Tb7Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4921]
_cell_length_b [6.7180]
_cell_length_c [8.7068]
_cell_angle_alpha [100.9853]
_cell_angle_beta [97.5496]
_cell_angle_gamma [96.5722]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaTb7Th3]
_chemical_formula_sum '[La1 Tb7 Th3]'
_cell_volume [365.7351]
_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  2  0.0076  0.2658  0.5791  1
  Tb  Tb1  2  0.2854  0.7715  0.7950  1
  Tb  Tb2  2  0.4318  0.2868  0.8577  1
  Tb  Tb3  1  0.5000  0.0000  0.5000  1
  La  La4  1  0.5000  0.5000  0.5000  1
  Th  Th5  2  0.1809  0.0514  0.1609  1
  Th  Th6  1  0.0000  0.5000  0.0000  1
]