data_[Al10Ga2Ag12]
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 [9.0757]
_cell_length_b [9.3644]
_cell_length_c [4.9322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al5GaAg6]
_chemical_formula_sum '[Al10 Ga2 Ag12]'
_cell_volume [412.7442]
_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  0.0000  0.1685  0.5000  1.0
  Al  Al1  4  0.0000  0.3356  0.0000  1.0
  Al  Al2  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag4  8  0.2477  0.3316  0.7495  1.0
  Ag  Ag5  4  0.2491  0.5000  0.2527  1.0
]