data_[Hf4Al5Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1428]
_cell_length_b [3.0437]
_cell_length_c [9.4427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Hf4Al5Au2]
_chemical_formula_sum '[Hf4 Al5 Au2]'
_cell_volume [204.8339]
_cell_formula_units_Z [1]
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  2  0.1650  0.5000  0.8966  1
  Hf  Hf1  2  0.2884  0.5000  0.4459  1
  Al  Al2  2  0.1984  0.0000  0.1652  1
  Al  Al3  2  0.4347  0.0000  0.7062  1
  Al  Al4  1  0.5000  0.0000  0.0000  1
  Au  Au5  2  0.0606  0.0000  0.6439  1
]