data_[Tb1Nd9Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0130]
_cell_length_b [5.0130]
_cell_length_c [15.4670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbNd9Pb2]
_chemical_formula_sum '[Tb1 Nd9 Pb2]'
_cell_volume [388.6910]
_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  0.0000  1
  Nd  Nd1  4  0.0000  0.5000  0.1729  1
  Nd  Nd2  2  0.0000  0.5000  0.5000  1
  Nd  Nd3  2  0.5000  0.5000  0.3382  1
  Nd  Nd4  1  0.5000  0.5000  0.0000  1
  Pb  Pb5  2  0.0000  0.0000  0.3371  1
]