data_[Nd36Sm21Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.9838]
_cell_length_b [10.9838]
_cell_length_c [20.2256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Nd12Sm7Pb]
_chemical_formula_sum '[Nd36 Sm21 Pb3]'
_cell_volume [2113.1950]
_cell_formula_units_Z [3]
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  18  0.0883  0.5442  0.7795  1
  Nd  Nd1  18  0.0907  0.5453  0.0691  1
  Sm  Sm2  18  0.0949  0.5474  0.4005  1
  Sm  Sm3  3  -0.0000  -0.0000  0.5000  1
  Pb  Pb4  3  0.0000  0.0000  0.0000  1
]