data_Ta2NbV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   2.84
_cell_angle_alpha   100.32
_cell_angle_beta   100.32
_cell_angle_gamma   116.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbV
_chemical_formula_sum   'Ta2 Nb1 V1'
_cell_volume   68.71
_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
  Ta  Ta1  1  0.93  0.72  0.34  1.0
  Ta  Ta2  1  0.93  0.28  0.34  1.0
  Nb  Nb0  1  0.82  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_Ta2NbV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   116.49
_cell_angle_beta   100.32
_cell_angle_gamma   100.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NbV
_chemical_formula_sum   'Ta2 Nb1 V1'
_cell_volume   68.71
_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
  Ta  Ta0  1  0.34  0.93  0.72  1.0
  Ta  Ta1  1  0.34  0.93  0.28  1.0
  Nb  Nb2  1  -0.0  0.82  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0

Ta Ta Nb V