data_[Cs4Cd4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.7463]
_cell_length_b [6.8523]
_cell_length_c [9.3235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8628]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsCdAu3]
_chemical_formula_sum '[Cs4 Cd4 Au12]'
_cell_volume [585.6208]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.3665  0.0117  0.7907  1.0
  Cd  Cd1  4  0.0895  0.7016  0.9078  1.0
  Au  Au2  4  0.1045  0.2092  0.4129  1.0
  Au  Au3  4  0.1245  0.5043  0.6396  1.0
  Au  Au4  4  0.3598  0.5028  0.9138  1.0
]