data_Ti2NbV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.77
_cell_angle_alpha   100.06
_cell_angle_beta   100.06
_cell_angle_gamma   117.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbV
_chemical_formula_sum   'Ti2 Nb1 V1'
_cell_volume   65.46
_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  Ti1  1  0.92  0.74  0.31  1.0
  Ti  Ti2  1  0.92  0.26  0.31  1.0
  Nb  Nb0  1  0.77  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_Ti2NbV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   117.01
_cell_angle_beta   100.06
_cell_angle_gamma   100.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbV
_chemical_formula_sum   'Ti2 Nb1 V1'
_cell_volume   65.46
_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  Ti0  1  0.04  0.74  0.66  1.0
  Ti  Ti1  1  0.57  0.26  0.18  1.0
  Nb  Nb2  1  0.0  0.0  0.77  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Ti Ti Nb V
Ti Ti Nb V 0 3 + + o 0 3 + + + 1 2 o o o 2 3 + o o 