data_[Nd12Sn4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0608]
_cell_length_b [19.1843]
_cell_length_c [6.7067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd3SnPb]
_chemical_formula_sum '[Nd12 Sn4 Pb4]'
_cell_volume [651.1357]
_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  0.0000  0.1036  0.7500  1
  Nd  Nd1  4  0.0000  0.3124  0.7500  1
  Nd  Nd2  4  0.0000  0.5000  0.0000  1
  Sn  Sn3  4  0.0000  0.0744  0.2500  1
  Pb  Pb4  4  0.0000  0.3022  0.2500  1
]