data_[Cd4Sn6Au8]
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 [11.0000]
_cell_length_b [4.2827]
_cell_length_c [9.4874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2Sn3Au4]
_chemical_formula_sum '[Cd4 Sn6 Au8]'
_cell_volume [429.9445]
_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  0.1477  0.5000  0.8214  1.0
  Sn  Sn1  4  0.1182  0.5000  0.4060  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.1200  0.0000  0.6052  1.0
  Au  Au4  4  0.1707  0.5000  0.1282  1.0
]