data_[Ti24Au8O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0771]
_cell_length_b [9.1435]
_cell_length_c [5.5941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti3AuO]
_chemical_formula_sum '[Ti24 Au8 O8]'
_cell_volume [648.0355]
_cell_formula_units_Z [8]
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  8  0.1413  0.3714  0.6182  1
  Ti  Ti1  8  0.1707  0.2526  0.1225  1
  Ti  Ti2  8  0.1779  0.0480  0.5955  1
  Au  Au3  4  0.0000  0.1340  0.2500  1
  Au  Au4  4  0.0000  0.1839  0.7500  1
  O  O5  8  0.1609  0.4385  0.2943  1
]