data_[Sm16Y6Mg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.6916]
_cell_length_b [8.6916]
_cell_length_c [11.3931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Sm8Y3Mg]
_chemical_formula_sum '[Sm16 Y6 Mg2]'
_cell_volume [860.6882]
_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  0.1264  0.8736  0.7510  1
  Sm  Sm1  8  0.2468  0.2468  0.0013  1
  Y  Y2  4  0.0000  0.5000  0.2500  1
  Y  Y3  2  0.0000  0.0000  0.5000  1
  Mg  Mg4  2  0.0000  0.0000  0.0000  1
]