data_[Al4In2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7138]
_cell_length_b [3.3212]
_cell_length_c [5.6079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2InAu]
_chemical_formula_sum '[Al4 In2 Au2]'
_cell_volume [158.2764]
_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
[
  Al  Al0  2  0.2440  0.0000  0.7299  1
  Al  Al1  2  0.4946  0.5000  0.9618  1
  In  In2  2  0.2538  0.5000  0.2456  1
  Au  Au3  2  0.0076  0.5000  0.5627  1
]