data_[Au6I2Cl4]
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 [Pc]
_cell_length_a [8.1904]
_cell_length_b [19.2909]
_cell_length_c [7.0303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2268]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Au3ICl2]
_chemical_formula_sum '[Au6 I2 Cl4]'
_cell_volume [1048.8337]
_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  2  0.2603  0.0152  0.0970  1
  Au  Au1  2  0.6374  0.0123  0.2252  1
  Au  Au2  2  0.9535  0.0859  0.1783  1
  I  I3  2  0.7847  0.1079  0.8035  1
  Cl  Cl4  2  0.1075  0.0889  0.5269  1
  Cl  Cl5  2  0.4476  0.1112  0.1690  1
]