data_HfFeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   4.33
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   108.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeSb2
_chemical_formula_sum   'Hf1 Fe1 Sb2'
_cell_volume   84.15
_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  Hf1  1  0.27  0.16  0.06  1.0
  Fe  Fe0  1  0.25  0.0  0.46  1.0
  Sb  Sb2  1  0.41  0.0  0.82  1.0
  Sb  Sb3  1  0.15  0.16  0.78  1.0

data_HfFeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   4.33
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   108.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeSb2
_chemical_formula_sum   'Hf1 Fe1 Sb2'
_cell_volume   84.15
_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  0.27  0.16  0.06  1.0
  Fe  Fe1  1  0.25  0.0  0.46  1.0
  Sb  Sb2  1  0.15  0.16  0.78  1.0
  Sb  Sb3  1  0.41  0.0  0.82  1.0

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