data_[Ba4Be2Sn2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.8021]
_cell_length_b [7.3242]
_cell_length_c [10.1947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba2BeSnAu6]
_chemical_formula_sum '[Ba4 Be2 Sn2 Au12]'
_cell_volume [507.9010]
_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  0.0000  0.5000  0.2180  1.0
  Be  Be1  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Au  Au3  8  0.2324  0.3054  0.5000  1.0
  Au  Au4  4  0.0000  0.0000  0.2252  1.0
]