data_[Ba4Al2Sn2Au12]
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 [C2/m]
_cell_length_a [12.7160]
_cell_length_b [6.3506]
_cell_length_c [8.5736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.2515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2AlSnAu6]
_chemical_formula_sum '[Ba4 Al2 Sn2 Au12]'
_cell_volume [536.1428]
_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  0.2434  0.0000  0.6933  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  Au  Au3  8  0.0267  0.2518  0.7928  1.0
  Au  Au4  4  0.2443  0.0000  0.1272  1.0
]