data_[Ac3La18Sm36]
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
  Sm  1.1700  1.8500  1.2290
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [14.1298]
_cell_length_b [14.1298]
_cell_length_c [11.9788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac(LaSm2)6]
_chemical_formula_sum '[Ac3 La18 Sm36]'
_cell_volume [2071.1718]
_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
[
  La  La0  18  0.0068  0.5034  0.2641  1
  Ac  Ac1  3  0.0000  0.0000  0.0000  1
  Sm  Sm2  18  0.0000  0.3852  0.5000  1
  Sm  Sm3  18  0.0904  0.1808  0.3385  1
]