data_[Sm36In18Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.4657]
_cell_length_b [14.4657]
_cell_length_c [9.8453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm12In6Pb]
_chemical_formula_sum '[Sm36 In18 Pb3]'
_cell_volume [1784.1852]
_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
[
  Sm  Sm0  18  0.0525  0.7955  0.9126  1
  Sm  Sm1  18  0.0559  0.8603  0.2601  1
  In  In2  18  0.0675  0.8286  0.5779  1
  Pb  Pb3  3  0.0000  0.0000  0.0000  1
]