data_Nb5V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   6.53
_cell_angle_alpha   107.3
_cell_angle_beta   107.3
_cell_angle_gamma   35.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5V
_chemical_formula_sum   'Nb5 V1'
_cell_volume   104.17
_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
  Nb  Nb0  1  0.12  0.0  0.0  1.0
  Nb  Nb1  1  0.98  0.0  0.1  1.0
  Nb  Nb2  1  0.15  0.0  0.2  1.0
  Nb  Nb3  1  0.16  0.0  0.02  1.0
  Nb  Nb4  1  0.11  0.0  0.19  1.0
  V  V5  1  0.0  0.0  0.0  1.0

data_Nb5V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.41
_cell_length_c   6.53
_cell_angle_alpha   107.3
_cell_angle_beta   90.0
_cell_angle_gamma   107.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5V
_chemical_formula_sum   'Nb5 V1'
_cell_volume   104.17
_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
  Nb  Nb0  1  0.0  0.02  0.9  1.0
  Nb  Nb1  1  0.0  0.84  0.98  1.0
  Nb  Nb2  1  0.0  0.85  0.8  1.0
  Nb  Nb3  1  0.0  0.88  1.0  1.0
  Nb  Nb4  1  0.0  0.89  0.81  1.0
  V  V5  1  0.0  0.0  0.0  1.0

Nb Nb Nb Nb Nb V