data_[Be2Al2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8448]
_cell_length_b [3.2344]
_cell_length_c [4.3980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeAlAu2]
_chemical_formula_sum '[Be2 Al2 Au4]'
_cell_volume [121.2719]
_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
[
  Be  Be0  2  0.4967  0.0000  0.4432  1.0
  Al  Al1  2  0.2467  0.0000  0.7844  1.0
  Au  Au2  2  0.2634  0.5000  0.3175  1.0
  Au  Au3  2  0.4933  0.5000  0.9549  1.0
]