data_[Sm40Y96Ag24]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.1314]
_cell_length_b [18.1314]
_cell_length_c [18.1314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Sm5(Y4Ag)3]
_chemical_formula_sum '[Sm40 Y96 Ag24]'
_cell_volume [5960.6802]
_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  24  0.0000  0.2500  0.3750  1
  Sm  Sm1  16  0.0000  0.0000  0.0000  1
  Y  Y2  96  0.0087  0.0896  0.6468  1
  Ag  Ag3  24  0.0000  0.2500  0.1250  1
]