data_[Sm8Al8Ni8]
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 [Amm2]
_cell_length_a [8.7393]
_cell_length_b [5.5045]
_cell_length_c [9.2002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmAlNi]
_chemical_formula_sum '[Sm8 Al8 Ni8]'
_cell_volume [442.5851]
_cell_formula_units_Z [8]
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  0.1837  0.0000  0.6700  1.0
  Sm  Sm1  4  0.2880  0.0000  0.3429  1.0
  Al  Al2  4  0.5000  0.2456  0.0869  1.0
  Al  Al3  2  0.0000  0.0000  0.1330  1.0
  Al  Al4  2  0.5000  0.0000  0.8405  1.0
  Ni  Ni5  4  0.0000  0.2406  0.9058  1.0
  Ni  Ni6  4  0.2627  0.0000  0.0071  1.0
]