data_[Sc6Cd9Au9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8212]
_cell_length_b [4.8212]
_cell_length_c [23.5785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sc2(CdAu)3]
_chemical_formula_sum '[Sc6 Cd9 Au9]'
_cell_volume [474.6274]
_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
[
  Sc  Sc0  3  0.0000  0.0000  0.5052  1
  Sc  Sc1  3  0.0000  0.0000  0.9944  1
  Cd  Cd2  3  0.0000  0.0000  0.2480  1
  Cd  Cd3  3  0.0000  0.0000  0.3761  1
  Cd  Cd4  3  0.0000  0.0000  0.7523  1
  Au  Au5  3  0.0000  0.0000  0.1210  1
  Au  Au6  3  0.0000  0.0000  0.6292  1
  Au  Au7  3  0.0000  0.0000  0.8738  1
]