data_HfScSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScSb2
_chemical_formula_sum   'Hf1 Sc1 Sb2'
_cell_volume   92.72
_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  0.92  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.16  0.0  0.89  1.0
  Sb  Sb2  1  0.16  0.0  0.96  1.0

data_HfScSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.48
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScSb2
_chemical_formula_sum   'Hf1 Sc1 Sb2'
_cell_volume   92.72
_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  0.92  1.0
  Sc  Sc1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.16  0.0  0.89  1.0
  Sb  Sb3  1  0.16  0.0  0.96  1.0

Hf Sc Sb Sb
Hf Sc Sb Sb 0 2 o o o 0 1 o o + 0 3 o o o 1 3 o o - 2 3 o o o 