data_[Sm12Al8Ag12]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5977]
_cell_length_b [10.9242]
_cell_length_c [15.1464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm3Al2Ag3]
_chemical_formula_sum '[Sm12 Al8 Ag12]'
_cell_volume [760.7414]
_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  8  0.0000  0.0901  0.6053  1
  Sm  Sm1  4  0.0000  0.3895  0.7500  1
  Al  Al2  8  0.0000  0.2033  0.0995  1
  Ag  Ag3  8  0.0000  0.3814  0.5408  1
  Ag  Ag4  4  0.0000  0.3258  0.2500  1
]