data_[Cd16Ga2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2966]
_cell_length_b [4.5908]
_cell_length_c [6.5823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd8GaAu2]
_chemical_formula_sum '[Cd16 Ga2 Au4]'
_cell_volume [490.7809]
_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  4  0.0196  0.0000  0.7576  1.0
  Cd  Cd1  4  0.1030  0.5000  0.4333  1.0
  Cd  Cd2  4  0.1615  0.5000  0.9565  1.0
  Cd  Cd3  4  0.2080  0.0000  0.2868  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1764  0.0000  0.6924  1.0
]