data_[Al4Ga6Ag6]
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 [C2/m]
_cell_length_a [12.0470]
_cell_length_b [4.6953]
_cell_length_c [5.5850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2(GaAg)3]
_chemical_formula_sum '[Al4 Ga6 Ag6]'
_cell_volume [295.5148]
_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
[
  Al  Al0  4  0.2415  0.0000  0.3027  1.0
  Ga  Ga1  4  0.1320  0.5000  0.0533  1.0
  Ga  Ga2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  4  0.1277  0.0000  0.6397  1.0
  Ag  Ag4  2  0.0000  0.0000  0.0000  1.0
]