data_[In12Ag20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [9.2894]
_cell_length_b [7.3458]
_cell_length_c [9.4463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [In3Ag5]
_chemical_formula_sum '[In12 Ag20]'
_cell_volume [644.6029]
_cell_formula_units_Z [4]
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
[
  In  In0  8  0.2262  0.0000  0.0000  1.0
  In  In1  4  0.0000  0.4454  0.2500  1.0
  Ag  Ag2  8  0.0000  0.2735  0.5272  1.0
  Ag  Ag3  8  0.2235  0.2575  0.7500  1.0
  Ag  Ag4  4  0.0000  0.0346  0.2500  1.0
]