data_[Ac8La8Sm12]
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 [Cmce]
_cell_length_a [6.8880]
_cell_length_b [16.8403]
_cell_length_c [9.1994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac2La2Sm3]
_chemical_formula_sum '[Ac8 La8 Sm12]'
_cell_volume [1067.0865]
_cell_formula_units_Z [4]
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  8  0.0000  0.0956  0.8894  1
  La  La1  8  0.2500  0.1435  0.2500  1
  Sm  Sm2  8  0.0000  0.2083  0.5608  1
  Sm  Sm3  4  0.0000  0.0000  0.5000  1
]