data_[Nd6Ni4Pb14]
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 [Cmmm]
_cell_length_a [4.8164]
_cell_length_b [28.2809]
_cell_length_c [4.7124]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nd3Ni2Pb7]
_chemical_formula_sum '[Nd6 Ni4 Pb14]'
_cell_volume [641.8942]
_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
[
  Nd  Nd0  4  0.0000  0.1850  0.0000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Ni  Ni2  4  0.0000  0.3709  0.5000  1.0
  Pb  Pb3  4  0.0000  0.0896  0.5000  1.0
  Pb  Pb4  4  0.0000  0.2811  0.5000  1.0
  Pb  Pb5  4  0.0000  0.4118  0.0000  1.0
  Pb  Pb6  2  0.0000  0.0000  0.0000  1.0
]