data_HfNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   4.11
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   109.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Sb
_chemical_formula_sum   'Hf1 Ni2 Sb1'
_cell_volume   65.26
_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  0.41  0.05  0.87  1.0
  Ni  Ni1  1  0.16  0.0  0.48  1.0
  Ni  Ni2  1  0.76  0.05  0.28  1.0
  Sb  Sb3  1  0.12  0.0  0.91  1.0

data_HfNi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.11
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   109.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Sb
_chemical_formula_sum   'Hf1 Ni2 Sb1'
_cell_volume   65.26
_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  0.41  0.05  0.87  1.0
  Ni  Ni1  1  0.16  0.0  0.48  1.0
  Ni  Ni2  1  0.76  0.05  0.28  1.0
  Sb  Sb3  1  0.12  0.0  0.91  1.0

Hf Ni Ni Sb
Hf Ni Ni Sb 0 3 o o o 1 2 - o o 