data_[Li2Au1F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P1]
_cell_length_a [3.3363]
_cell_length_b [5.4790]
_cell_length_c [6.2698]
_cell_angle_alpha [96.8273]
_cell_angle_beta [101.7395]
_cell_angle_gamma [91.3160]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li2AuF5]
_chemical_formula_sum '[Li2 Au1 F5]'
_cell_volume [111.2871]
_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
[
  Li  Li0  1  0.4943  0.4440  0.7447  1.0
  Li  Li1  1  0.8458  0.5609  0.3517  1.0
  Au  Au2  1  0.8927  0.0099  0.9678  1.0
  F  F3  1  0.0063  0.1662  0.7175  1.0
  F  F4  1  0.0433  0.6822  0.8509  1.0
  F  F5  1  0.3871  0.5163  0.4678  1.0
  F  F6  1  0.6994  0.3343  0.0643  1.0
  F  F7  1  0.7611  0.8715  0.2206  1.0
]