data_[Hf16Co2Au4]
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/m]
_cell_length_a [15.8656]
_cell_length_b [4.7127]
_cell_length_c [5.9549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8CoAu2]
_chemical_formula_sum '[Hf16 Co2 Au4]'
_cell_volume [444.4859]
_cell_formula_units_Z [2]
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  4  0.0297  0.0000  0.7497  1.0
  Hf  Hf1  4  0.0885  0.5000  0.4307  1.0
  Hf  Hf2  4  0.1616  0.5000  0.9083  1.0
  Hf  Hf3  4  0.2068  0.0000  0.5997  1.0
  Co  Co4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1608  0.0000  0.1453  1.0
]