data_NbAl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29
_cell_length_b   9.29
_cell_length_c   9.29
_cell_angle_alpha   17.58
_cell_angle_beta   17.58
_cell_angle_gamma   17.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl2V
_chemical_formula_sum   'Nb1 Al2 V1'
_cell_volume   63.86
_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  Nb2  1  0.0  0.0  0.72  1.0
  Al  Al0  1  0.0  0.0  0.96  1.0
  Al  Al1  1  0.0  0.0  0.48  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_NbAl2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.92
_cell_length_b   2.84
_cell_length_c   9.29
_cell_angle_alpha   90.0
_cell_angle_beta   100.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAl2V
_chemical_formula_sum   'Nb2 Al4 V2'
_cell_volume   127.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.28  1.0
  Al  Al1  2  0.0  0.0  0.04  1.0
  Al  Al2  2  0.0  0.0  0.52  1.0
  V  V3  2  0.0  0.0  0.0  1.0

Nb Al Al V