data_[Ba6In4Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.8015]
_cell_length_b [4.8015]
_cell_length_c [29.8431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3In2Au7]
_chemical_formula_sum '[Ba6 In4 Au14]'
_cell_volume [688.0100]
_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  0.0000  0.3261  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  In  In2  4  0.0000  0.0000  0.1201  1
  Au  Au3  8  0.0000  0.5000  0.0759  1
  Au  Au4  4  0.0000  0.0000  0.2147  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]