data_[Ba1Ag1Au1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0587]
_cell_length_b [5.1141]
_cell_length_c [7.2246]
_cell_angle_alpha [102.1960]
_cell_angle_beta [102.7917]
_cell_angle_gamma [107.6858]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaAgAuF6]
_chemical_formula_sum '[Ba1 Ag1 Au1 F6]'
_cell_volume [165.6660]
_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  0.9005  0.0091  0.9984  1.0
  Ag  Ag1  1  0.1984  0.8054  0.4971  1.0
  Au  Au2  1  0.7023  0.3157  0.5011  1.0
  F  F3  1  0.0455  0.6054  0.1800  1.0
  F  F4  1  0.3238  0.9874  0.8163  1.0
  F  F5  1  0.4720  0.2503  0.2239  1.0
  F  F6  1  0.5468  0.6086  0.6160  1.0
  F  F7  1  0.8770  0.0379  0.3900  1.0
  F  F8  1  0.9335  0.3800  0.7773  1.0
]