data_[Ba4In8Au8]
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 [Pnma]
_cell_length_a [8.9426]
_cell_length_b [4.8414]
_cell_length_c [12.6015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba(InAu)2]
_chemical_formula_sum '[Ba4 In8 Au8]'
_cell_volume [545.5773]
_cell_formula_units_Z [4]
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  0.2201  0.7500  0.1664  1.0
  In  In1  4  0.1019  0.7500  0.4507  1.0
  In  In2  4  0.1406  0.7500  0.8584  1.0
  Au  Au3  4  0.0260  0.2500  0.3361  1.0
  Au  Au4  4  0.0899  0.2500  0.9789  1.0
]