data_[Al4Sn8Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1571]
_cell_length_b [4.5521]
_cell_length_c [9.8904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1570]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Sn4Au]
_chemical_formula_sum '[Al4 Sn8 Au2]'
_cell_volume [348.9606]
_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  4  0.1018  0.5000  0.7825  1
  Sn  Sn1  4  0.1245  0.0000  0.3662  1
  Sn  Sn2  4  0.1899  0.5000  0.1053  1
  Au  Au3  2  0.0000  0.5000  0.5000  1
]