data_[La2Sm12Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7754]
_cell_length_b [3.8096]
_cell_length_c [12.0411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(Sm3Al)2]
_chemical_formula_sum '[La2 Sm12 Al4]'
_cell_volume [553.3031]
_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  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0203  0.0000  0.3272  1
  Sm  Sm2  4  0.1867  0.5000  0.5838  1
  Sm  Sm3  4  0.1912  0.5000  0.8737  1
  Al  Al4  4  0.1534  0.5000  0.2148  1
]