data_[Cd8In2Au10]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [8.7946]
_cell_length_b [8.7946]
_cell_length_c [5.6144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Cd4InAu5]
_chemical_formula_sum '[Cd8 In2 Au10]'
_cell_volume [434.2453]
_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  8  0.0756  0.3207  0.5417  1
  In  In1  2  0.0000  0.0000  0.8099  1
  Au  Au2  8  0.1087  0.2629  0.0453  1
  Au  Au3  2  0.0000  0.0000  0.3319  1
]