data_[Al3Ga7Ag1]
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 [P3m1]
_cell_length_a [6.0616]
_cell_length_b [6.0616]
_cell_length_c [6.5160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Al3Ga7Ag]
_chemical_formula_sum '[Al3 Ga7 Ag1]'
_cell_volume [207.3436]
_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  3  0.1694  0.3389  0.7816  1.0
  Ga  Ga1  3  0.3525  0.1763  0.0965  1.0
  Ga  Ga2  3  0.5123  0.0247  0.4678  1.0
  Ga  Ga3  1  0.3333  0.6667  0.1386  1.0
  Ag  Ag4  1  0.0000  0.0000  0.4386  1.0
]