data_[Li1Au1S4O14]
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
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2388]
_cell_length_b [6.3726]
_cell_length_c [8.2929]
_cell_angle_alpha [71.5140]
_cell_angle_beta [89.3441]
_cell_angle_gamma [77.3356]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiAu(S2O7)2]
_chemical_formula_sum '[Li1 Au1 S4 O14]'
_cell_volume [255.6813]
_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  0.5000  0.0000  0.0000  1
  Au  Au1  1  0.5000  0.5000  0.5000  1
  S  S2  2  0.0389  0.7480  0.2355  1
  S  S3  2  0.3334  0.3026  0.2377  1
  O  O4  2  0.0629  0.5149  0.1916  1
  O  O5  2  0.1272  0.6727  0.4248  1
  O  O6  2  0.2053  0.8758  0.1291  1
  O  O7  2  0.2387  0.1602  0.7769  1
  O  O8  2  0.2648  0.1260  0.3732  1
  O  O9  2  0.3959  0.2767  0.0757  1
  O  O10  2  0.4556  0.5923  0.7127  1
]