data_[Sm4Al12Ni4]
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 [Pnma]
_cell_length_a [8.1689]
_cell_length_b [4.0913]
_cell_length_c [10.7411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmAl3Ni]
_chemical_formula_sum '[Sm4 Al12 Ni4]'
_cell_volume [358.9827]
_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
[
  Sm  Sm0  4  0.1853  0.2500  0.9907  1.0
  Al  Al1  4  0.0538  0.2500  0.4167  1.0
  Al  Al2  4  0.1149  0.7500  0.2150  1.0
  Al  Al3  4  0.1433  0.7500  0.7772  1.0
  Ni  Ni4  4  0.1050  0.2500  0.6439  1.0
]