data_[Ti6Nb8V4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4531]
_cell_length_b [6.9805]
_cell_length_c [7.8225]
_cell_angle_alpha [69.8581]
_cell_angle_beta [67.1723]
_cell_angle_gamma [77.4242]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti3(Nb2V)2]
_chemical_formula_sum '[Ti6 Nb8 V4]'
_cell_volume [303.4641]
_cell_formula_units_Z [2]
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  2  0.2674  0.9997  0.4984  1
  Ti  Ti1  2  0.3722  0.8722  0.8473  1
  Ti  Ti2  2  0.4695  0.7580  0.1920  1
  Nb  Nb3  2  0.0330  0.2229  0.8238  1
  Nb  Nb4  2  0.0796  0.6636  0.5071  1
  Nb  Nb5  2  0.1492  0.1120  0.1619  1
  Nb  Nb6  2  0.1965  0.5582  0.8317  1
  V  V7  2  0.3106  0.4530  0.1544  1
  V  V8  2  0.4205  0.3564  0.4767  1
]