data_[La7Tb4Th1]
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 [6.4262]
_cell_length_b [7.3919]
_cell_length_c [9.0602]
_cell_angle_alpha [89.7153]
_cell_angle_beta [76.5341]
_cell_angle_gamma [89.9712]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La7Tb4Th]
_chemical_formula_sum '[La7 Tb4 Th1]'
_cell_volume [418.5367]
_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  0.2135  0.0001  0.3299  1
  La  La1  2  0.2251  0.5001  0.3365  1
  Tb  Tb2  2  0.2737  0.2395  0.6731  1
  La  La3  2  0.2785  0.7559  0.6704  1
  La  La4  2  0.4983  0.7606  0.0026  1
  La  La5  1  0.0000  0.5000  0.0000  1
  Th  Th6  1  0.0000  0.0000  0.0000  1
]