data_[Sm12Ni4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5695]
_cell_length_b [4.5413]
_cell_length_c [15.4814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3NiPb3]
_chemical_formula_sum '[Sm12 Ni4 Pb12]'
_cell_volume [765.7479]
_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
[
  Sm  Sm0  4  0.0235  0.5000  0.3834  1
  Sm  Sm1  4  0.0926  0.5000  0.9202  1
  Sm  Sm2  4  0.2399  0.5000  0.2391  1
  Ni  Ni3  4  0.2378  0.0000  0.3849  1
  Pb  Pb4  4  0.0259  0.0000  0.2394  1
  Pb  Pb5  4  0.1369  0.0000  0.0772  1
  Pb  Pb6  4  0.1543  0.0000  0.5389  1
]