data_[Yb9Al21Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6565]
_cell_length_b [5.6565]
_cell_length_c [26.5499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Yb3Al7Ag2]
_chemical_formula_sum '[Yb9 Al21 Ag6]'
_cell_volume [735.6851]
_cell_formula_units_Z [3]
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
[
  Yb  Yb0  6  0.0000  0.0000  0.1430  1.0
  Yb  Yb1  3  0.0000  0.0000  0.0000  1.0
  Al  Al2  18  0.0060  0.5030  0.9172  1.0
  Al  Al3  3  -0.0000  -0.0000  0.5000  1.0
  Ag  Ag4  6  0.0000  0.0000  0.3358  1.0
]