data_[Eu24Au40I96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Eu  1.2000  1.8500  1.1985
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.1742]
_cell_length_b [18.1742]
_cell_length_c [18.1742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Eu3Au5I12]
_chemical_formula_sum '[Eu24 Au40 I96]'
_cell_volume [6002.9955]
_cell_formula_units_Z [8]
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
[
  Eu  Eu0  24  0.0000  0.2500  0.1250  1
  Au  Au1  24  0.0000  0.2500  0.3750  1
  Au  Au2  16  0.0000  0.0000  0.0000  1
  I  I3  96  0.0255  0.0624  0.6510  1
]