data_[Ac21La36Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.0841]
_cell_length_b [13.0841]
_cell_length_c [16.3072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac7La12Pb]
_chemical_formula_sum '[Ac21 La36 Pb3]'
_cell_volume [2417.6807]
_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
[
  Ac  Ac0  18  0.0118  0.4326  0.2017  1
  La  La1  18  0.0367  0.1870  0.3095  1
  La  La2  18  0.0729  0.8166  0.9208  1
  Ac  Ac3  3  -0.0000  0.0000  0.5000  1
  Pb  Pb4  3  0.0000  0.0000  0.0000  1
]