data_[Li4Sm6Al18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3978]
_cell_length_b [9.9205]
_cell_length_c [12.8175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2(SmAl3)3]
_chemical_formula_sum '[Li4 Sm6 Al18]'
_cell_volume [559.2053]
_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
[
  Li  Li0  4  0.0000  0.1974  0.5000  1.0
  Sm  Sm1  4  0.0000  0.0000  0.3071  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Al  Al3  8  0.0000  0.2779  0.1358  1.0
  Al  Al4  8  0.0000  0.3666  0.3428  1.0
  Al  Al5  2  0.0000  0.5000  0.0000  1.0
]