data_Ti(VAu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   7.08
_cell_angle_alpha   151.12
_cell_angle_beta   151.12
_cell_angle_gamma   41.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(VAu)2
_chemical_formula_sum   'Ti1 V2 Au2'
_cell_volume   82.71
_cell_formula_units_Z   1
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  Ti2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.77  0.31  1.0
  V  V4  1  0.77  0.0  0.31  1.0
  Au  Au0  1  0.0  0.0  0.94  1.0
  Au  Au1  1  0.0  0.0  0.32  1.0

data_Ti(VAu)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   110.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti(VAu)2
_chemical_formula_sum   'Ti2 V4 Au4'
_cell_volume   165.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  V  V1  4  0.38  0.38  0.45  1.0
  Au  Au2  2  0.0  0.0  0.06  1.0
  Au  Au3  2  0.0  0.0  0.68  1.0

Ti V V Au Au