data_[Hf4Ga6Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.4224]
_cell_length_b [6.7544]
_cell_length_c [7.4573]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Hf2Ga3Au2]
_chemical_formula_sum '[Hf4 Ga6 Au4]'
_cell_volume [270.6839]
_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  0.1390  0.1184  0.6630  1
  Ga  Ga1  4  0.3445  0.0511  0.3380  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  Au  Au3  4  0.3903  0.6809  0.4087  1
]