data_HfTaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.2
_cell_angle_alpha   96.69
_cell_angle_beta   96.69
_cell_angle_gamma   40.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaSb2
_chemical_formula_sum   'Hf1 Ta1 Sb2'
_cell_volume   87.02
_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  0.0  1.0
  Ta  Ta3  1  0.44  0.0  0.58  1.0
  Sb  Sb1  1  0.85  0.0  0.82  1.0
  Sb  Sb2  1  0.03  0.0  0.35  1.0

data_HfTaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.08
_cell_length_c   5.2
_cell_angle_alpha   96.69
_cell_angle_beta   90.0
_cell_angle_gamma   110.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaSb2
_chemical_formula_sum   'Hf1 Ta1 Sb2'
_cell_volume   87.02
_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  0.0  1.0
  Ta  Ta1  1  0.0  0.56  0.42  1.0
  Sb  Sb2  1  0.0  0.15  0.18  1.0
  Sb  Sb3  1  0.0  0.97  0.65  1.0

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