data_[Al4In2Ag16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5627]
_cell_length_b [12.3961]
_cell_length_c [4.8349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2InAg8]
_chemical_formula_sum '[Al4 In2 Ag16]'
_cell_volume [412.7333]
_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  0.3091  0.0000  1.0
  In  In1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  8  0.2086  0.8809  0.1265  1.0
  Ag  Ag3  4  0.0000  0.2253  0.5000  1.0
  Ag  Ag4  4  0.0969  0.5000  0.3097  1.0
]