data_[Ba1Na1Au1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9548]
_cell_length_b [5.9502]
_cell_length_c [6.1490]
_cell_angle_alpha [91.9130]
_cell_angle_beta [96.0392]
_cell_angle_gamma [110.5044]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaNaAuF6]
_chemical_formula_sum '[Ba1 Na1 Au1 F6]'
_cell_volume [168.3776]
_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  0.9595  0.9860  0.9866  1.0
  Na  Na1  1  0.3059  0.7169  0.5057  1.0
  Au  Au2  1  0.6684  0.3303  0.4913  1.0
  F  F3  1  0.0212  0.3378  0.6799  1.0
  F  F4  1  0.3226  0.3366  0.3030  1.0
  F  F5  1  0.4217  0.9697  0.8153  1.0
  F  F6  1  0.6357  0.0270  0.3296  1.0
  F  F7  1  0.6973  0.6306  0.6576  1.0
  F  F8  1  0.9675  0.6648  0.2311  1.0
]