data_Hf2VSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VSn
_chemical_formula_sum   'Hf2 V1 Sn1'
_cell_volume   79.89
_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  0.33  0.0  0.19  1.0
  Hf  Hf1  1  0.0  0.0  0.26  1.0
  V  V3  1  0.0  0.0  0.79  1.0
  Sn  Sn2  1  0.33  0.0  0.28  1.0

data_Hf2VSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.38
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VSn
_chemical_formula_sum   'Hf2 V1 Sn1'
_cell_volume   79.89
_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  0.26  1.0
  Hf  Hf1  1  0.33  0.0  0.19  1.0
  V  V2  1  0.0  0.0  0.79  1.0
  Sn  Sn3  1  0.33  0.0  0.28  1.0

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