data_[Sm6Al6Ag16]
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 [Immm]
_cell_length_a [4.5883]
_cell_length_b [10.0156]
_cell_length_c [12.8811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm3Al3Ag8]
_chemical_formula_sum '[Sm6 Al6 Ag16]'
_cell_volume [591.9452]
_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  0.0000  0.0000  0.1979  1.0
  Sm  Sm1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  4  0.0000  0.1926  0.0000  1.0
  Al  Al3  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag4  8  0.0000  0.2897  0.3763  1.0
  Ag  Ag5  8  0.0000  0.3621  0.1596  1.0
]