data_[Al3Ga18Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2077]
_cell_length_b [7.2077]
_cell_length_c [11.4675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Al(Ga3Ag)2]
_chemical_formula_sum '[Al3 Ga18 Ag6]'
_cell_volume [515.9252]
_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
[
  Al  Al0  3  0.0000  0.0000  0.2837  1.0
  Ga  Ga1  9  0.0231  0.2718  0.1066  1.0
  Ga  Ga2  9  0.0798  0.6934  0.5978  1.0
  Ag  Ag3  3  0.0000  0.0000  0.5119  1.0
  Ag  Ag4  3  0.0000  0.0000  0.7569  1.0
]