data_[Ba2Li3Bi4Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.9000]
_cell_length_b [4.9000]
_cell_length_c [11.9353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Li3Bi4Au]
_chemical_formula_sum '[Ba2 Li3 Bi4 Au1]'
_cell_volume [286.5618]
_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  0.7384  1.0
  Li  Li1  2  0.0000  0.5000  0.1330  1.0
  Li  Li2  1  0.0000  0.0000  0.5000  1.0
  Bi  Bi3  2  0.0000  0.5000  0.3665  1.0
  Bi  Bi4  1  0.0000  0.0000  0.0000  1.0
  Bi  Bi5  1  0.5000  0.5000  0.0000  1.0
  Au  Au6  1  0.5000  0.5000  0.5000  1.0
]