data_[Ti4Al8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3036]
_cell_length_b [9.6200]
_cell_length_c [7.4613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti(AlAu3)2]
_chemical_formula_sum '[Ti4 Al8 Au24]'
_cell_volume [637.3122]
_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
[
  Ti  Ti0  4  0.0000  0.0988  0.2500  1.0
  Al  Al1  8  0.1028  0.3669  0.0487  1.0
  Au  Au2  8  0.1037  0.1575  0.6692  1.0
  Au  Au3  8  0.1475  0.3750  0.4422  1.0
  Au  Au4  8  0.2081  0.1057  0.1074  1.0
]