data_Nb2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   4.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2V
_chemical_formula_sum   'Nb4 V2'
_cell_volume   99.57
_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
  Nb  Nb0  1  0.6  0.71  0.49  1.0
  Nb  Nb1  1  0.6  0.97  0.16  1.0
  Nb  Nb2  1  0.6  0.03  0.49  1.0
  Nb  Nb3  1  0.6  0.29  0.16  1.0
  V  V4  1  0.6  0.59  0.49  1.0
  V  V5  1  0.6  0.41  0.16  1.0

data_Nb2V
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.21
_cell_length_b   4.65
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   103.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Nb2V
_chemical_formula_sum   'Nb4 V2'
_cell_volume   99.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Nb  Nb0  2  0.03  0.34  0.03  1.0
  Nb  Nb1  2  0.29  0.66  0.29  1.0
  V  V2  2  0.41  0.66  0.41  1.0

Nb Nb Nb Nb V V
Nb Nb Nb Nb V V 0 4 o o o 1 2 o + o 3 5 o o o 