data_[Ba2Yb2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Yb  1.1000  1.7500  1.0840
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1229]
_cell_length_b [4.8248]
_cell_length_c [7.6681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaYbAu2]
_chemical_formula_sum '[Ba2 Yb2 Au4]'
_cell_volume [226.2802]
_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  2  0.3551  0.7500  0.3073  1
  Yb  Yb1  2  0.1355  0.7500  0.8188  1
  Au  Au2  2  0.1332  0.2500  0.5534  1
  Au  Au3  2  0.3176  0.2500  0.0204  1
]