data_[Tb3Pr2Nd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6457]
_cell_length_b [3.6457]
_cell_length_c [27.3787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb3(PrNd2)2]
_chemical_formula_sum '[Tb3 Pr2 Nd4]'
_cell_volume [315.1365]
_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  1  0.0000  0.0000  0.3477  1.0
  Tb  Tb1  1  0.3333  0.6667  0.0173  1.0
  Tb  Tb2  1  0.3333  0.6667  0.6759  1.0
  Pr  Pr3  1  0.0000  0.0000  0.1274  1.0
  Pr  Pr4  1  0.0000  0.0000  0.9124  1.0
  Nd  Nd5  1  0.0000  0.0000  0.5667  1.0
  Nd  Nd6  1  0.0000  0.0000  0.7799  1.0
  Nd  Nd7  1  0.3333  0.6667  0.2401  1.0
  Nd  Nd8  1  0.3333  0.6667  0.4555  1.0
]