data_[Hf16Co4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.9346]
_cell_length_b [11.4104]
_cell_length_c [5.4335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4CoAu]
_chemical_formula_sum '[Hf16 Co4 Au4]'
_cell_volume [471.9711]
_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
[
  Hf  Hf0  8  0.0995  0.1847  0.0509  1.0
  Hf  Hf1  8  0.2203  0.4137  0.3886  1.0
  Co  Co2  4  0.0000  0.0033  0.7500  1.0
  Au  Au3  4  0.0000  0.3883  0.7500  1.0
]