data_HfSiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27
_cell_length_b   7.27
_cell_length_c   7.27
_cell_angle_alpha   155.63
_cell_angle_beta   155.63
_cell_angle_gamma   34.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiSb
_chemical_formula_sum   'Hf1 Si1 Sb1'
_cell_volume   65.34
_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  0.17  1.0
  Si  Si2  1  0.0  0.0  0.94  1.0
  Sb  Sb1  1  0.0  0.0  0.77  1.0

data_HfSiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfSiSb
_chemical_formula_sum   'Hf2 Si2 Sb2'
_cell_volume   130.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.17  0.0  0.17  1.0
  Si  Si1  2  0.44  0.5  0.94  1.0
  Sb  Sb2  2  0.27  0.5  0.77  1.0

Hf Si Sb