data_[Ba1Al2Sn2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-1]
_cell_length_a [6.3688]
_cell_length_b [6.7297]
_cell_length_c [7.0045]
_cell_angle_alpha [95.8304]
_cell_angle_beta [116.2169]
_cell_angle_gamma [93.5771]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaAl2(SnAu3)2]
_chemical_formula_sum '[Ba1 Al2 Sn2 Au6]'
_cell_volume [265.9978]
_cell_formula_units_Z [1]
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
[
  Ba  Ba0  1  0.0000  0.5000  0.5000  1.0
  Al  Al1  2  0.1025  0.2018  0.0542  1.0
  Sn  Sn2  2  0.4351  0.0643  0.7726  1.0
  Au  Au3  2  0.0468  0.9826  0.3211  1.0
  Au  Au4  2  0.2392  0.5909  0.1350  1.0
  Au  Au5  2  0.4600  0.2856  0.4197  1.0
]