data_[Au6Cl7]
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 [P31m]
_cell_length_a [10.8117]
_cell_length_b [10.8117]
_cell_length_c [17.7943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Au6Cl7]
_chemical_formula_sum '[Au6 Cl7]'
_cell_volume [1801.3553]
_cell_formula_units_Z [1]
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  3  0.0000  0.2733  0.4873  1
  Au  Au1  2  0.3333  0.6667  0.4861  1
  Au  Au2  1  0.0000  0.0000  0.5135  1
  Cl  Cl3  6  0.1664  0.7556  0.4851  1
  Cl  Cl4  1  0.0000  0.0000  0.6421  1
]