data_[Sb8Au4I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7626]
_cell_length_b [8.3343]
_cell_length_c [8.8461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sb2AuI2]
_chemical_formula_sum '[Sb8 Au4 I8]'
_cell_volume [805.9030]
_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
[
  Sb  Sb0  8  0.0359  0.1858  0.5295  1.0
  Au  Au1  4  0.0000  0.0081  0.7500  1.0
  I  I2  8  0.2049  0.4117  0.2353  1.0
]