data_[Cs4Al4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.6930]
_cell_length_b [7.4092]
_cell_length_c [9.2612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsAlAu3]
_chemical_formula_sum '[Cs4 Al4 Au12]'
_cell_volume [566.2557]
_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  0.3745  0.1085  0.7981  1.0
  Al  Al1  4  0.0864  0.7480  0.9027  1.0
  Au  Au2  4  0.0102  0.0970  0.3744  1.0
  Au  Au3  4  0.1063  0.5497  0.6397  1.0
  Au  Au4  4  0.3530  0.5768  0.9244  1.0
]