data_[Ba2Ga10Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.5690]
_cell_length_b [9.7134]
_cell_length_c [9.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaGa5Au7]
_chemical_formula_sum '[Ba2 Ga10 Au14]'
_cell_volume [509.1615]
_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  2  0.0000  0.0000  0.0033  1
  Ga  Ga1  8  0.2420  0.2566  0.7454  1
  Ga  Ga2  2  0.0000  0.5000  0.2683  1
  Au  Au3  4  0.0000  0.2885  0.4839  1
  Au  Au4  4  0.0000  0.3462  0.0163  1
  Au  Au5  2  0.0000  0.0000  0.3503  1
  Au  Au6  2  0.0000  0.0000  0.6661  1
  Au  Au7  2  0.0000  0.5000  0.7301  1
]