data_HfNbV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.3
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbV2
_chemical_formula_sum   'Hf1 Nb1 V2'
_cell_volume   67.29
_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  0.92  0.0  0.72  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.06  0.15  0.25  1.0
  V  V3  1  0.77  0.15  0.19  1.0

data_HfNbV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.3
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   100.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbV2
_chemical_formula_sum   'Hf1 Nb1 V2'
_cell_volume   67.29
_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  0.92  0.0  0.72  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.06  0.15  0.25  1.0
  V  V3  1  0.77  0.15  0.19  1.0

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