data_[Ac6La16Sm6]
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 [Immm]
_cell_length_a [5.8415]
_cell_length_b [13.3985]
_cell_length_c [13.6364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ac3La8Sm3]
_chemical_formula_sum '[Ac6 La16 Sm6]'
_cell_volume [1067.2747]
_cell_formula_units_Z [2]
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  8  0.0000  0.2663  0.3563  1
  La  La1  8  0.0000  0.3783  0.1377  1
  Ac  Ac2  4  0.0000  0.0000  0.2181  1
  Ac  Ac3  2  0.0000  0.0000  0.5000  1
  Sm  Sm4  4  0.0000  0.1522  0.0000  1
  Sm  Sm5  2  0.0000  0.5000  0.5000  1
]