data_HfVSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   3.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVSb
_chemical_formula_sum   'Hf1 V1 Sb1'
_cell_volume   57.95
_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  0.35  0.35  0.52  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.71  0.0  1.0

data_HfVSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVSb
_chemical_formula_sum   'Hf1 V1 Sb1'
_cell_volume   57.95
_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  0.52  0.35  0.35  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  -0.0  0.0  0.71  1.0

Hf V Sb
Hf V Sb 0 1 o o o 0 1 o o + 1 2 o - o 