data_[Y4Hf8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0134]
_cell_length_b [7.0134]
_cell_length_c [7.0134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [YHf2Au]
_chemical_formula_sum '[Y4 Hf8 Au4]'
_cell_volume [344.9705]
_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
[
  Y  Y0  4  0.0000  0.0000  0.0000  1
  Hf  Hf1  8  0.2500  0.2500  0.2500  1
  Au  Au2  4  0.0000  0.0000  0.5000  1
]