data_[Sm8Al24Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.6984]
_cell_length_b [8.6984]
_cell_length_c [8.6984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Sm4Al12Ni]
_chemical_formula_sum '[Sm8 Al24 Ni2]'
_cell_volume [658.1403]
_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  8  0.2500  0.2500  0.2500  1
  Al  Al1  12  0.0000  0.0000  0.2835  1
  Al  Al2  12  0.0000  0.2500  0.5000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
]