data_[Au8S4I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [24.6806]
_cell_length_b [3.9851]
_cell_length_c [8.3934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7715]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Au4S2I5]
_chemical_formula_sum '[Au8 S4 I10]'
_cell_volume [813.5608]
_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
[
  Au  Au0  4  0.0123  0.0000  0.2522  1
  Au  Au1  4  0.1636  0.5000  0.5638  1
  S  S2  4  0.0288  0.5000  0.4259  1
  I  I3  4  0.1572  0.0000  0.7890  1
  I  I4  4  0.1714  0.0000  0.3382  1
  I  I5  2  0.0000  0.5000  0.0000  1
]