data_Hf2VSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   134.51
_cell_angle_beta   134.51
_cell_angle_gamma   66.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VSb
_chemical_formula_sum   'Hf2 V1 Sb1'
_cell_volume   79.07
_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  0.09  0.0  0.26  1.0
  Hf  Hf1  1  0.0  0.0  0.53  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.09  0.26  1.0

data_Hf2VSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.41
_cell_angle_alpha   112.74
_cell_angle_beta   112.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VSb
_chemical_formula_sum   'Hf2 V1 Sb1'
_cell_volume   79.07
_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  0.26  0.17  0.17  1.0
  Hf  Hf1  1  0.53  0.53  0.53  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.17  0.26  0.17  1.0

Hf Hf V Sb
Hf Hf V Sb 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 