data_[Ba1Na2Au1F8]
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 [P-1]
_cell_length_a [4.4428]
_cell_length_b [5.6891]
_cell_length_c [7.9491]
_cell_angle_alpha [95.0189]
_cell_angle_beta [94.5496]
_cell_angle_gamma [90.9893]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaNa2AuF8]
_chemical_formula_sum '[Ba1 Na2 Au1 F8]'
_cell_volume [199.4583]
_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  0.0000  0.5000  1.0
  Na  Na1  2  0.4471  0.4554  0.2651  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0844  0.7417  0.7771  1.0
  F  F4  2  0.1656  0.8149  0.1864  1.0
  F  F5  2  0.3530  0.2176  0.0062  1.0
  F  F6  2  0.4943  0.2593  0.5123  1.0
]