data_[Al12Ga2Ag10]
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 [5.1898]
_cell_length_b [8.9950]
_cell_length_c [8.9645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al6GaAg5]
_chemical_formula_sum '[Al12 Ga2 Ag10]'
_cell_volume [409.9664]
_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  8  0.2476  0.3316  0.7498  1
  Al  Al1  4  0.2454  0.5000  0.2505  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  Ag  Ag3  4  0.0000  0.1662  0.5000  1
  Ag  Ag4  4  0.0000  0.3337  0.0000  1
  Ag  Ag5  2  0.0000  0.5000  0.5000  1
]