data_[Au8I2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [6.2062]
_cell_length_b [6.2305]
_cell_length_c [12.1503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [Au4ICl3]
_chemical_formula_sum '[Au8 I2 Cl6]'
_cell_volume [469.8246]
_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  0.0000  0.2497  0.7528  1
  Au  Au1  4  0.2435  0.5000  0.2431  1
  I  I2  2  0.0000  0.0000  0.4125  1
  Cl  Cl3  2  0.0000  0.0000  0.8971  1
  Cl  Cl4  2  0.0000  0.5000  0.0907  1
  Cl  Cl5  2  0.0000  0.5000  0.6081  1
]