data_[Ba4Li2Hg2Au2]
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
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.4414]
_cell_length_b [4.9660]
_cell_length_c [8.7735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2LiHgAu]
_chemical_formula_sum '[Ba4 Li2 Hg2 Au2]'
_cell_volume [339.4653]
_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  0.0617  0.7500  0.7154  1.0
  Ba  Ba1  2  0.3586  0.2500  0.1336  1.0
  Li  Li2  2  0.3309  0.7500  0.4301  1.0
  Hg  Hg3  2  0.3446  0.2500  0.6229  1.0
  Au  Au4  2  0.0815  0.7500  0.1108  1.0
]