data_[Li8Au4F12]
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 [C2/m]
_cell_length_a [5.2890]
_cell_length_b [9.1754]
_cell_length_c [6.3299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2AuF3]
_chemical_formula_sum '[Li8 Au4 F12]'
_cell_volume [294.6587]
_cell_formula_units_Z [4]
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  4  0.0000  0.1513  0.5000  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Au  Au3  4  0.0000  0.3336  0.0000  1
  F  F4  8  0.1112  0.3331  0.3342  1
  F  F5  4  0.0985  0.0000  0.3043  1
]