data_[Al15Ag45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [9.9935]
_cell_length_b [9.9935]
_cell_length_c [12.1602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [AlAg3]
_chemical_formula_sum '[Al15 Ag45]'
_cell_volume [1051.7280]
_cell_formula_units_Z [15]
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
[
  Al  Al0  9  0.0347  0.4540  0.7712  1.0
  Al  Al1  3  0.0000  0.0000  0.0582  1.0
  Al  Al2  3  0.0000  0.0000  0.6882  1.0
  Ag  Ag3  9  0.0015  0.1700  0.8730  1.0
  Ag  Ag4  9  0.0512  0.8596  0.4911  1.0
  Ag  Ag5  9  0.0940  0.7484  0.7097  1.0
  Ag  Ag6  9  0.1250  0.3772  0.3124  1.0
  Ag  Ag7  9  0.1920  0.1296  0.2606  1.0
]