data_[Au10Cl10]
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 [7.8488]
_cell_length_b [20.6459]
_cell_length_c [20.6459]
_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 '[Au10 Cl10]'
_cell_volume [2897.3501]
_cell_formula_units_Z [10]
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  0.0055  0.1273  0.5682  1
  Au  Au1  1  0.0096  0.0051  0.3901  1
  Au  Au2  1  0.1540  0.9711  0.4888  1
  Au  Au3  1  0.1719  0.8693  0.3354  1
  Au  Au4  1  0.3685  0.0694  0.4544  1
  Au  Au5  1  0.5056  0.8928  0.5059  1
  Au  Au6  1  0.5093  0.9301  0.3706  1
  Au  Au7  1  0.6542  0.0271  0.5038  1
  Au  Au8  1  0.6719  0.0547  0.3845  1
  Au  Au9  1  0.8683  0.8934  0.4075  1
  Cl  Cl10  1  0.1909  0.1793  0.5190  1
  Cl  Cl11  1  0.1994  0.1932  0.7054  1
  Cl  Cl12  1  0.3021  0.9709  0.5909  1
  Cl  Cl13  1  0.3438  0.2352  0.8000  1
  Cl  Cl14  1  0.4199  0.8103  0.2625  1
  Cl  Cl15  1  0.6912  0.8042  0.4195  1
  Cl  Cl16  1  0.7001  0.8964  0.6263  1
  Cl  Cl17  1  0.8024  0.0867  0.6218  1
  Cl  Cl18  1  0.8447  0.9034  0.7117  1
  Cl  Cl19  1  0.9195  0.0802  0.3337  1
]