data_[Au6Cl10]
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 [P4/mbm]
_cell_length_a [12.0594]
_cell_length_b [12.0594]
_cell_length_c [15.0048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Au3Cl5]
_chemical_formula_sum '[Au6 Cl10]'
_cell_volume [2182.1534]
_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  0.1543  0.3457  0.5000  1
  Au  Au1  2  0.0000  0.5000  0.5000  1
  Cl  Cl2  8  0.0098  0.2264  0.5000  1
  Cl  Cl3  2  0.0000  0.0000  0.5000  1
]