data_[Ba5Ag1Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0631]
_cell_length_b [4.0631]
_cell_length_c [20.1736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ba5AgAu4]
_chemical_formula_sum '[Ba5 Ag1 Au4]'
_cell_volume [333.0343]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.1047  1
  Ba  Ba1  2  0.5000  0.5000  0.3017  1
  Ba  Ba2  1  0.5000  0.5000  0.5000  1
  Ag  Ag3  1  0.0000  0.0000  0.0000  1
  Au  Au4  2  0.0000  0.0000  0.2014  1
  Au  Au5  2  0.0000  0.0000  0.4011  1
]