data_[Fe8Au4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6093]
_cell_length_b [11.3417]
_cell_length_c [6.9024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Fe2AuCl6]
_chemical_formula_sum '[Fe8 Au4 Cl24]'
_cell_volume [979.7659]
_cell_formula_units_Z [4]
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
[
  Fe  Fe0  8  0.1995  0.4206  0.7872  1.0
  Au  Au1  4  0.0000  0.1072  0.7500  1.0
  Cl  Cl2  8  0.1234  0.0705  0.1609  1.0
  Cl  Cl3  8  0.1327  0.4272  0.0853  1.0
  Cl  Cl4  8  0.1353  0.2558  0.6449  1.0
]