data_[Zr16Si24Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.4568]
_cell_length_b [8.3195]
_cell_length_c [13.6480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Zr2Si3Au]
_chemical_formula_sum '[Zr16 Si24 Au8]'
_cell_volume [846.6694]
_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
[
  Zr  Zr0  8  0.2285  0.0000  0.0000  1
  Zr  Zr1  8  0.2500  0.2500  0.2500  1
  Si  Si2  16  0.0000  0.2468  0.0839  1
  Si  Si3  8  0.0000  0.0000  0.1628  1
  Au  Au4  8  0.0000  0.0000  0.3365  1
]