data_[Ti24Au8N8]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4943]
_cell_length_b [11.7606]
_cell_length_c [5.1261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti3AuN]
_chemical_formula_sum '[Ti24 Au8 N8]'
_cell_volume [572.0547]
_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  0.1172  0.0707  0.0923  1.0
  Ti  Ti1  8  0.1222  0.3181  0.0569  1.0
  Ti  Ti2  8  0.1270  0.1871  0.5909  1.0
  Au  Au3  8  0.1391  0.4383  0.5692  1.0
  N  N4  4  0.0000  0.0643  0.7500  1.0
  N  N5  4  0.0000  0.2009  0.2500  1.0
]