data_[Cd3Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.0191]
_cell_length_b [3.0191]
_cell_length_c [28.5427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Cd3Au8]
_chemical_formula_sum '[Cd3 Au8]'
_cell_volume [225.3089]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.3743  1
  Cd  Cd1  1  0.0000  0.0000  0.5416  1
  Cd  Cd2  1  0.0000  0.0000  0.7084  1
  Au  Au3  1  0.0000  0.0000  0.0424  1
  Au  Au4  1  0.0000  0.0000  0.2079  1
  Au  Au5  1  0.6667  0.3333  0.1248  1
  Au  Au6  1  0.6667  0.3333  0.2910  1
  Au  Au7  1  0.6667  0.3333  0.4582  1
  Au  Au8  1  0.6667  0.3333  0.6247  1
  Au  Au9  1  0.6667  0.3333  0.7924  1
  Au  Au10  1  0.6667  0.3333  0.9591  1
]