data_[Ba1Li2Au1F8]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6001]
_cell_length_b [5.6395]
_cell_length_c [7.6996]
_cell_angle_alpha [108.5690]
_cell_angle_beta [96.1274]
_cell_angle_gamma [90.8790]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaLi2AuF8]
_chemical_formula_sum '[Ba1 Li2 Au1 F8]'
_cell_volume [188.0095]
_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  0.0000  0.5000  0.5000  1.0
  Li  Li1  2  0.4952  0.0572  0.6773  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0995  0.0035  0.7222  1.0
  F  F4  2  0.1715  0.3349  0.1512  1.0
  F  F5  2  0.3470  0.8341  0.0676  1.0
  F  F6  2  0.4919  0.2496  0.5212  1.0
]