data_[Ba4Al2In2Au12]
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
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4370]
_cell_length_b [6.5477]
_cell_length_c [8.3339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.7972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AlInAu6]
_chemical_formula_sum '[Ba4 Al2 In2 Au12]'
_cell_volume [536.2634]
_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
[
  Ba  Ba0  4  0.2431  0.5000  0.1914  1.0
  Al  Al1  2  0.0000  0.5000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.0309  0.2460  0.2981  1.0
  Au  Au4  4  0.2459  0.5000  0.6284  1.0
]