data_[Li2Au2I6]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3450]
_cell_length_b [7.4031]
_cell_length_c [8.1933]
_cell_angle_alpha [84.3197]
_cell_angle_beta [70.2072]
_cell_angle_gamma [66.4938]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiAuI3]
_chemical_formula_sum '[Li2 Au2 I6]'
_cell_volume [384.0747]
_cell_formula_units_Z [2]
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  2  0.2570  0.2041  0.4446  1
  Au  Au1  2  0.2148  0.6877  0.4262  1
  I  I2  2  0.0705  0.5429  0.2409  1
  I  I3  2  0.3118  0.8349  0.6466  1
  I  I4  2  0.4078  0.9067  0.1515  1
]