data_[Tb3Nd4Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5654]
_cell_length_b [3.5654]
_cell_length_c [26.4241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb3(Nd2Sc)2]
_chemical_formula_sum '[Tb3 Nd4 Sc2]'
_cell_volume [290.9092]
_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  0.3395  1.0
  Tb  Tb1  1  0.3333  0.6667  0.0191  1.0
  Tb  Tb2  1  0.3333  0.6667  0.6839  1.0
  Nd  Nd3  1  0.0000  0.0000  0.5698  1.0
  Nd  Nd4  1  0.0000  0.0000  0.7938  1.0
  Nd  Nd5  1  0.3333  0.6667  0.2255  1.0
  Nd  Nd6  1  0.3333  0.6667  0.4515  1.0
  Sc  Sc7  1  0.0000  0.0000  0.1210  1.0
  Sc  Sc8  1  0.0000  0.0000  0.9187  1.0
]