data_[Ba2Cd16Ga2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.7875]
_cell_length_b [6.0603]
_cell_length_c [11.1376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaCd8GaAu2]
_chemical_formula_sum '[Ba2 Cd16 Ga2 Au4]'
_cell_volume [593.0161]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.5000  1
  Cd  Cd1  8  0.0873  0.2508  0.7989  1
  Cd  Cd2  4  0.1453  0.5000  0.5817  1
  Cd  Cd3  4  0.1624  0.5000  0.0470  1
  Ga  Ga4  2  0.0000  0.0000  0.0000  1
  Au  Au5  4  0.1732  0.5000  0.3249  1
]