data_[Hf4Ga3Au1]
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 [Pmm2]
_cell_length_a [3.8536]
_cell_length_b [3.8717]
_cell_length_c [10.3432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Hf4Ga3Au]
_chemical_formula_sum '[Hf4 Ga3 Au1]'
_cell_volume [154.3179]
_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  1  0.0000  0.0000  0.1507  1.0
  Hf  Hf1  1  0.0000  0.5000  0.8483  1.0
  Hf  Hf2  1  0.5000  0.0000  0.6443  1.0
  Hf  Hf3  1  0.5000  0.5000  0.3613  1.0
  Ga  Ga4  1  0.0000  0.0000  0.4192  1.0
  Ga  Ga5  1  0.0000  0.5000  0.5811  1.0
  Ga  Ga6  1  0.5000  0.0000  0.9117  1.0
  Au  Au7  1  0.5000  0.5000  0.0834  1.0
]