data_[Nd16Ni8Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.7726]
_cell_length_b [15.7968]
_cell_length_c [7.0453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Nd4Ni2Pb]
_chemical_formula_sum '[Nd16 Ni8 Pb4]'
_cell_volume [771.4912]
_cell_formula_units_Z [4]
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
[
  Nd  Nd0  4  0.1735  0.0107  0.4387  1.0
  Nd  Nd1  4  0.1846  0.4202  0.7825  1.0
  Nd  Nd2  4  0.2522  0.2158  0.0903  1.0
  Nd  Nd3  4  0.4070  0.2118  0.7158  1.0
  Ni  Ni4  4  0.0546  0.8355  0.1180  1.0
  Ni  Ni5  4  0.4706  0.9175  0.9492  1.0
  Pb  Pb6  4  0.3328  0.3874  0.4053  1.0
]