data_[Cd2In4Au16]
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 [C2/m]
_cell_length_a [16.6502]
_cell_length_b [3.9316]
_cell_length_c [6.8540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd(InAu4)2]
_chemical_formula_sum '[Cd2 In4 Au16]'
_cell_volume [424.8307]
_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  2  0.0000  0.5000  0.0000  1.0
  In  In1  4  0.2144  0.0000  0.6561  1.0
  Au  Au2  4  0.0458  0.0000  0.7384  1.0
  Au  Au3  4  0.0840  0.5000  0.4534  1.0
  Au  Au4  4  0.1426  0.0000  0.2143  1.0
  Au  Au5  4  0.1755  0.5000  0.9316  1.0
]