data_[La8Sm6Al8]
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 [Immm]
_cell_length_a [3.6127]
_cell_length_b [9.3632]
_cell_length_c [19.3178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La4Sm3Al4]
_chemical_formula_sum '[La8 Sm6 Al8]'
_cell_volume [653.4434]
_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  0.1709  0.3340  1
  Sm  Sm1  4  0.0000  0.0000  0.0921  1
  Sm  Sm2  2  0.0000  0.5000  0.0000  1
  Al  Al3  4  0.0000  0.2782  0.5000  1
  Al  Al4  4  0.0000  0.5000  0.2785  1
]