data_[Ba2As4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.7705]
_cell_length_b [4.7466]
_cell_length_c [10.5968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(AsAu)2]
_chemical_formula_sum '[Ba2 As4 Au4]'
_cell_volume [239.9347]
_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  0.2477  0.2500  0.7495  1.0
  As  As1  2  0.2143  0.2500  0.1278  1.0
  As  As2  2  0.2499  0.7500  0.5000  1.0
  Au  Au3  2  0.2501  0.2500  0.3783  1.0
  Au  Au4  2  0.2905  0.7500  0.0022  1.0
]