data_[Cd8Sn2Au14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8274]
_cell_length_b [5.3425]
_cell_length_c [10.4295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd4SnAu7]
_chemical_formula_sum '[Cd8 Sn2 Au14]'
_cell_volume [520.6621]
_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
[
  Cd  Cd0  4  0.0990  0.5000  0.7730  1.0
  Cd  Cd1  4  0.2319  0.0000  0.6578  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0680  0.0000  0.3264  1.0
  Au  Au4  4  0.1371  0.5000  0.5212  1.0
  Au  Au5  4  0.2118  0.0000  0.9127  1.0
  Au  Au6  2  0.0000  0.5000  0.0000  1.0
]