data_[Sm10Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [11.0086]
_cell_length_b [4.7537]
_cell_length_c [10.5199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm5Al4]
_chemical_formula_sum '[Sm10 Al8]'
_cell_volume [492.8926]
_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
[
  Sm  Sm0  4  0.1040  0.0000  0.4034  1
  Sm  Sm1  4  0.2434  0.0000  0.8302  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.0458  0.5000  0.8298  1
  Al  Al4  4  0.1158  0.5000  0.6208  1
]