data_[Y4Al2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9482]
_cell_length_b [3.7881]
_cell_length_c [6.4097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2AlAu]
_chemical_formula_sum '[Y4 Al2 Au2]'
_cell_volume [209.5975]
_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
[
  Y  Y0  4  0.2444  0.5000  0.7440  1
  Al  Al1  2  0.0000  0.5000  0.0000  1
  Au  Au2  2  0.0000  0.0000  0.5000  1
]