data_[Pr36Sm21Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.4916]
_cell_length_b [12.4916]
_cell_length_c [15.5789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Sm7Pb]
_chemical_formula_sum '[Pr36 Sm21 Pb3]'
_cell_volume [2105.2571]
_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
[
  Pr  Pr0  18  0.0270  0.5818  0.7068  1
  Pr  Pr1  18  0.0558  0.4681  0.0873  1
  Sm  Sm2  18  0.0513  0.8676  0.8028  1
  Sm  Sm3  3  -0.0000  0.0000  0.5000  1
  Pb  Pb4  3  0.0000  0.0000  0.0000  1
]