data_[Sm16Mg2Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3309]
_cell_length_b [5.0173]
_cell_length_c [8.0446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9172]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8MgAl2]
_chemical_formula_sum '[Sm16 Mg2 Al4]'
_cell_volume [657.6717]
_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  0.0442  0.0000  0.7325  1
  Sm  Sm1  4  0.1036  0.5000  0.4642  1
  Sm  Sm2  4  0.1686  0.0000  0.2460  1
  Sm  Sm3  4  0.1778  0.5000  0.9372  1
  Mg  Mg4  2  0.0000  0.5000  0.0000  1
  Al  Al5  4  0.2133  0.0000  0.6654  1
]