data_[Tb1Pr6Nd8]
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 [P-3]
_cell_length_a [9.6250]
_cell_length_b [9.6250]
_cell_length_c [6.7622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Tb(Pr3Nd4)2]
_chemical_formula_sum '[Tb1 Pr6 Nd8]'
_cell_volume [542.5170]
_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  0.5000  1
  Pr  Pr1  6  0.0838  0.4307  0.6596  1
  Nd  Nd2  6  0.0290  0.2810  0.1633  1
  Nd  Nd3  2  0.3333  0.6667  0.1098  1
]