data_[Ti8V16Au12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  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 [9.0298]
_cell_length_b [5.2222]
_cell_length_c [13.3637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti2V4(AuN)3]
_chemical_formula_sum '[Ti8 V16 Au12 N12]'
_cell_volume [614.0442]
_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  8  0.0542  0.4165  0.4116  1
  V  V1  8  0.1081  0.0806  0.5739  1
  V  V2  8  0.2241  0.0846  0.9261  1
  Au  Au3  8  0.1795  0.4040  0.7496  1
  Au  Au4  4  0.0000  0.0571  0.2500  1
  N  N5  8  0.0813  0.2562  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]