data_HfReSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.88
_cell_angle_alpha   100.95
_cell_angle_beta   100.95
_cell_angle_gamma   41.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReSb2
_chemical_formula_sum   'Hf1 Re1 Sb2'
_cell_volume   82.08
_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
  Re  Re1  1  0.72  0.0  0.88  1.0
  Sb  Sb2  1  0.21  0.0  0.58  1.0
  Sb  Sb3  1  0.23  0.0  0.17  1.0

data_HfReSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.62
_cell_length_c   5.88
_cell_angle_alpha   100.95
_cell_angle_beta   90.0
_cell_angle_gamma   110.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReSb2
_chemical_formula_sum   'Hf1 Re1 Sb2'
_cell_volume   82.08
_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
  Re  Re1  1  0.0  0.28  0.12  1.0
  Sb  Sb2  1  0.0  0.77  0.83  1.0
  Sb  Sb3  1  0.0  0.79  0.42  1.0

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