data_[Au4S12O36F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [11.1595]
_cell_length_b [9.7382]
_cell_length_c [10.0559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AuS3(O3F)3]
_chemical_formula_sum '[Au4 S12 O36 F12]'
_cell_volume [1089.4839]
_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
[
  Au  Au0  4  0.1671  0.5039  0.1503  1
  S  S1  4  0.1099  0.1032  0.3539  1
  S  S2  4  0.1976  0.6077  0.4463  1
  S  S3  4  0.4233  0.1149  0.6929  1
  O  O4  4  0.0197  0.5109  0.8458  1
  O  O5  4  0.0855  0.2214  0.2742  1
  O  O6  4  0.1488  0.0231  0.9759  1
  O  O7  4  0.1504  0.1384  0.4955  1
  O  O8  4  0.1694  0.7289  0.5183  1
  O  O9  4  0.1811  0.6470  0.2971  1
  O  O10  4  0.3473  0.5124  0.1437  1
  O  O11  4  0.3642  0.1955  0.7867  1
  O  O12  4  0.4560  0.5672  0.7831  1
  F  F13  4  0.2190  0.0239  0.3029  1
  F  F14  4  0.3397  0.5919  0.4665  1
  F  F15  4  0.4200  0.2034  0.5599  1
]