data_[In8Ag16Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [8.3152]
_cell_length_b [8.3152]
_cell_length_c [8.4423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [In2Ag4Au]
_chemical_formula_sum '[In8 Ag16 Au4]'
_cell_volume [583.7192]
_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  0.1196  0.7500  0.6250  1
  Ag  Ag1  16  0.0834  0.8306  0.2854  1
  Au  Au2  4  0.0000  0.0000  0.0000  1
]