data_[Al1Ga6Ag8]
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 [P-31m]
_cell_length_a [7.6512]
_cell_length_b [7.6512]
_cell_length_c [5.4754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [Al(Ga3Ag4)2]
_chemical_formula_sum '[Al1 Ga6 Ag8]'
_cell_volume [277.5904]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Ga  Ga1  6  0.0000  0.3780  0.6735  1
  Ag  Ag2  6  0.0000  0.2813  0.1798  1
  Ag  Ag3  2  0.3333  0.6667  0.0000  1
]