data_HfNb2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95
_cell_length_b   8.95
_cell_length_c   8.95
_cell_angle_alpha   19.95
_cell_angle_beta   19.95
_cell_angle_gamma   19.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb2V
_chemical_formula_sum   'Hf1 Nb2 V1'
_cell_volume   72.93
_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
  Hf  Hf0  1  0.0  0.0  0.15  1.0
  Nb  Nb1  1  0.0  0.0  0.48  1.0
  Nb  Nb2  1  0.0  0.0  0.82  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_HfNb2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   3.1
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   101.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfNb2V
_chemical_formula_sum   'Hf2 Nb4 V2'
_cell_volume   145.86
_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
  Hf  Hf0  2  -0.0  0.0  0.85  1.0
  Nb  Nb1  2  0.0  0.0  0.18  1.0
  Nb  Nb2  2  0.0  0.0  0.52  1.0
  V  V3  2  0.0  0.0  0.0  1.0

Hf Nb Nb V
Hf Nb Nb V 0 3 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 2 3 o o + 