data_[Ba4In4Ag4Au12]
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
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5177]
_cell_length_b [12.6750]
_cell_length_c [7.7234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaInAgAu3]
_chemical_formula_sum '[Ba4 In4 Ag4 Au12]'
_cell_volume [638.0431]
_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  0.3077  0.7500  1
  In  In1  4  0.0000  0.3820  0.2500  1
  Ag  Ag2  4  0.0000  0.0546  0.7500  1
  Au  Au3  8  0.2245  0.5000  0.0000  1
  Au  Au4  4  0.0000  0.1661  0.2500  1
]