data_[La6Tb2Nd16]
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
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.6806]
_cell_length_b [11.5971]
_cell_length_c [11.7562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3TbNd8]
_chemical_formula_sum '[La6 Tb2 Nd16]'
_cell_volume [910.8232]
_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
[
  La  La0  4  0.0000  0.5000  0.2548  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  La  La2  2  0.0000  0.0000  0.5000  1
  Nd  Nd3  8  0.0000  0.1666  0.2485  1
  Nd  Nd4  8  0.2427  0.2586  0.5000  1
]