data_Hf2NbSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   137.67
_cell_angle_beta   129.86
_cell_angle_gamma   67.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbSn
_chemical_formula_sum   'Hf2 Nb1 Sn1'
_cell_volume   83.35
_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  0.32  0.34  1.0
  Hf  Hf1  1  0.98  0.0  0.21  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.55  1.0

data_Hf2NbSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.64
_cell_length_c   5.47
_cell_angle_alpha   115.07
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbSn
_chemical_formula_sum   'Hf2 Nb1 Sn1'
_cell_volume   83.35
_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  0.21  0.23  1.0
  Hf  Hf1  1  0.68  0.02  0.02  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.55  0.55  1.0

Hf Hf Nb Sn