data_[Hf6Be6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [11.3969]
_cell_length_b [3.7993]
_cell_length_c [6.5114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [HfBeAu]
_chemical_formula_sum '[Hf6 Be6 Au6]'
_cell_volume [281.9484]
_cell_formula_units_Z [6]
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  0.0380  0.0000  0.7722  1
  Hf  Hf1  2  0.2500  0.0000  0.1402  1
  Be  Be2  4  0.0901  0.5000  0.0499  1
  Be  Be3  2  0.2500  0.0000  0.5688  1
  Au  Au4  4  0.1218  0.5000  0.4191  1
  Au  Au5  2  0.2500  0.5000  0.8059  1
]