data_Hf2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   143.13
_cell_angle_beta   133.07
_cell_angle_gamma   61.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiSb
_chemical_formula_sum   'Hf2 Ni1 Sb1'
_cell_volume   75.95
_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  0.0  0.0  0.6  1.0
  Hf  Hf1  1  0.0  0.23  0.16  1.0
  Ni  Ni2  1  0.0  0.0  0.77  1.0
  Sb  Sb3  1  0.77  0.0  0.74  1.0

data_Hf2NiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.46
_cell_length_c   5.59
_cell_angle_alpha   113.46
_cell_angle_beta   108.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NiSb
_chemical_formula_sum   'Hf2 Ni1 Sb1'
_cell_volume   75.95
_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  0.4  0.4  0.4  1.0
  Hf  Hf1  1  0.84  0.07  0.07  1.0
  Ni  Ni2  1  0.23  0.23  0.23  1.0
  Sb  Sb3  1  0.03  0.26  0.03  1.0

Hf Hf Ni Sb