data_[Cd3In6Sn3Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.7509]
_cell_length_b [4.7509]
_cell_length_c [22.9669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CdIn2SnAu2]
_chemical_formula_sum '[Cd3 In6 Sn3 Au6]'
_cell_volume [448.9466]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6253  1.0
  In  In1  3  0.0000  0.0000  0.3724  1.0
  In  In2  3  0.0000  0.0000  0.8765  1.0
  Sn  Sn3  3  0.0000  0.0000  0.1256  1.0
  Au  Au4  3  0.0000  0.0000  0.0009  1.0
  Au  Au5  3  0.0000  0.0000  0.4993  1.0
]