data_[Ba2Ag3Pb4Au1]
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
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [5.0305]
_cell_length_b [5.0305]
_cell_length_c [11.7288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Ag3Pb4Au]
_chemical_formula_sum '[Ba2 Ag3 Pb4 Au1]'
_cell_volume [296.8091]
_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  0.0000  0.5000  0.7378  1.0
  Ag  Ag1  2  0.0000  0.5000  0.1348  1.0
  Ag  Ag2  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb3  2  0.0000  0.5000  0.3763  1.0
  Pb  Pb4  1  0.0000  0.0000  0.0000  1.0
  Pb  Pb5  1  0.5000  0.5000  0.0000  1.0
  Au  Au6  1  0.5000  0.5000  0.5000  1.0
]