data_[Tb16Nd4Pb2]
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 [C2/m]
_cell_length_a [18.2400]
_cell_length_b [4.9513]
_cell_length_c [7.9974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb8Nd2Pb]
_chemical_formula_sum '[Tb16 Nd4 Pb2]'
_cell_volume [697.5500]
_cell_formula_units_Z [2]
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  4  0.0441  0.0000  0.7239  1.0
  Tb  Tb1  4  0.0888  0.5000  0.4419  1.0
  Tb  Tb2  4  0.1353  0.0000  0.1763  1.0
  Tb  Tb3  4  0.1809  0.5000  0.9085  1.0
  Nd  Nd4  4  0.2218  0.0000  0.6335  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]