data_[Au6Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4390]
_cell_length_b [20.0744]
_cell_length_c [20.0744]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AuCl]
_chemical_formula_sum '[Au6 Cl6]'
_cell_volume [1549.1787]
_cell_formula_units_Z [6]
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  1  0.4708  0.6519  0.6612  1
  Au  Au1  1  0.4757  0.6342  0.4607  1
  Au  Au2  1  0.7805  0.4164  0.4638  1
  Au  Au3  1  0.8294  0.2513  0.3949  1
  Au  Au4  1  0.9668  0.5460  0.6688  1
  Au  Au5  1  0.9780  0.5187  0.3584  1
  Cl  Cl6  1  0.1954  0.6584  0.7630  1
  Cl  Cl7  1  0.2014  0.6228  0.3566  1
  Cl  Cl8  1  0.3288  0.2093  0.3775  1
  Cl  Cl9  1  0.7564  0.4275  0.5844  1
  Cl  Cl10  1  0.7572  0.6582  0.5678  1
  Cl  Cl11  1  0.7759  0.4054  0.3431  1
]