data_[Tb5Nd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.8677]
_cell_length_b [7.8677]
_cell_length_c [18.8902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Tb5Nd4]
_chemical_formula_sum '[Tb5 Nd4]'
_cell_volume [1012.6529]
_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  3  0.0000  0.2277  0.5376  1
  Tb  Tb1  2  0.3333  0.6667  0.5901  1
  Nd  Nd2  3  0.0000  0.5578  0.4410  1
  Nd  Nd3  1  0.0000  0.0000  0.3841  1
]