data_Hf5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42
_cell_length_b   8.42
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Sb3
_chemical_formula_sum   'Hf10 Sb6'
_cell_volume   349.83
_cell_formula_units_Z   2
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  0.21  0.43  0.85  1.0
  Hf  Hf1  1  0.0  0.86  0.0  1.0
  Hf  Hf2  1  0.0  0.86  0.85  1.0
  Hf  Hf3  1  0.21  0.43  0.0  1.0
  Hf  Hf4  1  0.82  0.5  0.28  1.0
  Hf  Hf5  1  0.97  0.79  0.43  1.0
  Hf  Hf6  1  0.03  0.79  0.28  1.0
  Hf  Hf7  1  0.35  0.0  0.28  1.0
  Hf  Hf8  1  0.06  0.0  0.43  1.0
  Hf  Hf9  1  0.18  0.5  0.43  1.0
  Sb  Sb10  1  0.36  0.85  0.28  1.0
  Sb  Sb11  1  0.44  0.44  0.43  1.0
  Sb  Sb12  1  0.56  0.44  0.28  1.0
  Sb  Sb13  1  0.29  0.0  0.28  1.0
  Sb  Sb14  1  0.13  0.0  0.43  1.0
  Sb  Sb15  1  0.64  0.85  0.43  1.0

data_Hf5Sb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.7
_cell_length_b   8.42
_cell_length_c   8.42
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Sb3
_chemical_formula_sum   'Hf10 Sb6'
_cell_volume   349.83
_cell_formula_units_Z   2
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  0.86  1.0
  Hf  Hf1  1  0.0  0.21  0.43  1.0
  Hf  Hf2  1  0.28  0.03  0.79  1.0
  Hf  Hf3  1  0.28  0.35  0.0  1.0
  Hf  Hf4  1  0.28  0.82  0.5  1.0
  Hf  Hf5  1  0.43  0.06  0.0  1.0
  Hf  Hf6  1  0.43  0.18  0.5  1.0
  Hf  Hf7  1  0.43  0.97  0.79  1.0
  Hf  Hf8  1  0.85  0.0  0.86  1.0
  Hf  Hf9  1  0.85  0.21  0.43  1.0
  Sb  Sb10  1  0.28  0.29  0.0  1.0
  Sb  Sb11  1  0.28  0.36  0.85  1.0
  Sb  Sb12  1  0.28  0.56  0.44  1.0
  Sb  Sb13  1  0.43  0.13  0.0  1.0
  Sb  Sb14  1  0.43  0.44  0.44  1.0
  Sb  Sb15  1  0.43  0.64  0.85  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Sb Sb Sb Sb Sb Sb
Hf Hf Hf Hf Hf Hf Hf Hf Hf Hf Sb Sb Sb Sb Sb Sb 0 3 o o + 0 9 o o o 1 2 o o - 3 9 o o o 4 12 o o o 4 6 + o o 4 5 o o o 5 6 + o o 5 15 o o o 7 13 o o o 7 10 o - o 7 15 o - o 8 14 o o o 8 15 - - o 9 11 o o o 9 10 o o o 10 15 o o o 11 12 o o o 11 15 o o o 12 15 o o o 