data_[La4Sm8Al4]
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 [Amm2]
_cell_length_a [5.4270]
_cell_length_b [7.0698]
_cell_length_c [12.2561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LaSm2Al]
_chemical_formula_sum '[La4 Sm8 Al4]'
_cell_volume [470.2431]
_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
[
  La  La0  4  0.5000  0.2277  0.5875  1.0
  Sm  Sm1  4  0.0000  0.2342  0.4119  1.0
  Sm  Sm2  2  0.0000  0.0000  0.1769  1.0
  Sm  Sm3  2  0.5000  0.0000  0.8204  1.0
  Al  Al4  2  0.0000  0.0000  0.6717  1.0
  Al  Al5  2  0.5000  0.0000  0.3319  1.0
]