data_[Ba1Li2Au1]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2255]
_cell_length_b [4.3187]
_cell_length_c [6.6097]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BaLi2Au]
_chemical_formula_sum '[Ba1 Li2 Au1]'
_cell_volume [117.6099]
_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  1  0.7619  0.5000  0.3240  1.0
  Li  Li1  1  0.4267  0.5000  0.7836  1.0
  Li  Li2  1  0.9614  0.0000  0.8332  1.0
  Au  Au3  1  0.3500  0.0000  0.5592  1.0
]