data_[Ba16In20Au24]
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 [Cmc2_1]
_cell_length_a [4.6961]
_cell_length_b [22.1088]
_cell_length_c [17.4549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba4In5Au6]
_chemical_formula_sum '[Ba16 In20 Au24]'
_cell_volume [1812.2454]
_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  0.0000  0.0087  0.5106  1
  Ba  Ba1  4  0.0000  0.0291  0.7690  1
  Ba  Ba2  4  0.0000  0.1676  0.3066  1
  Ba  Ba3  4  0.0000  0.1843  0.9453  1
  In  In4  4  0.0000  0.1490  0.6279  1
  In  In5  4  0.0000  0.3004  0.6192  1
  In  In6  4  0.0000  0.3405  0.2702  1
  In  In7  4  0.0000  0.3571  0.9827  1
  In  In8  4  0.0000  0.4406  0.6665  1
  Au  Au9  4  0.0000  0.1212  0.1242  1
  Au  Au10  4  0.0000  0.2153  0.4933  1
  Au  Au11  4  0.0000  0.2279  0.7548  1
  Au  Au12  4  0.0000  0.4237  0.1319  1
  Au  Au13  4  0.0000  0.4277  0.3977  1
  Au  Au14  4  0.0000  0.4411  0.8558  1
]