data_HfRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   17.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRe2
_chemical_formula_sum   'Hf8 Re16'
_cell_volume   416.17
_cell_formula_units_Z   8
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  0.24  1.0
  Hf  Hf1  1  0.0  0.0  0.03  1.0
  Hf  Hf2  1  0.0  0.0  0.61  1.0
  Hf  Hf3  1  0.0  0.0  0.67  1.0
  Hf  Hf4  1  0.64  0.52  0.95  1.0
  Hf  Hf5  1  0.0  0.05  0.32  1.0
  Hf  Hf6  1  0.0  0.05  0.59  1.0
  Hf  Hf7  1  0.64  0.52  0.68  1.0
  Re  Re8  1  0.64  0.52  0.82  1.0
  Re  Re9  1  0.0  0.05  0.45  1.0
  Re  Re10  1  0.0  0.05  0.19  1.0
  Re  Re11  1  0.64  0.52  0.09  1.0
  Re  Re12  1  0.68  0.28  0.64  1.0
  Re  Re13  1  0.32  0.28  0.64  1.0
  Re  Re14  1  0.64  0.0  0.64  1.0
  Re  Re15  1  0.68  0.28  0.0  1.0
  Re  Re16  1  0.32  0.28  0.0  1.0
  Re  Re17  1  0.64  0.0  0.0  1.0
  Re  Re18  1  0.27  0.74  0.96  1.0
  Re  Re19  1  0.0  0.74  0.96  1.0
  Re  Re20  1  0.64  0.1  0.96  1.0
  Re  Re21  1  0.36  0.83  0.32  1.0
  Re  Re22  1  0.64  0.83  0.32  1.0
  Re  Re23  1  0.0  0.47  0.32  1.0

data_HfRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   17.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRe2
_chemical_formula_sum   'Hf8 Re16'
_cell_volume   416.17
_cell_formula_units_Z   8
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  0.05  0.32  1.0
  Hf  Hf1  1  -0.0  0.05  0.59  1.0
  Hf  Hf2  1  0.0  0.0  0.03  1.0
  Hf  Hf3  1  0.0  0.0  0.24  1.0
  Hf  Hf4  1  0.0  0.0  0.61  1.0
  Hf  Hf5  1  0.0  0.0  0.67  1.0
  Hf  Hf6  1  0.64  0.52  0.68  1.0
  Hf  Hf7  1  0.64  0.52  0.95  1.0
  Re  Re8  1  -0.0  0.47  0.32  1.0
  Re  Re9  1  -0.0  0.05  0.19  1.0
  Re  Re10  1  -0.0  0.05  0.45  1.0
  Re  Re11  1  0.0  0.74  0.96  1.0
  Re  Re12  1  0.27  0.74  0.96  1.0
  Re  Re13  1  0.32  0.28  0.0  1.0
  Re  Re14  1  0.32  0.28  0.64  1.0
  Re  Re15  1  0.36  0.83  0.32  1.0
  Re  Re16  1  0.64  0.83  0.32  1.0
  Re  Re17  1  0.64  0.0  0.0  1.0
  Re  Re18  1  0.64  0.0  0.64  1.0
  Re  Re19  1  0.64  0.1  0.96  1.0
  Re  Re20  1  0.64  0.52  0.09  1.0
  Re  Re21  1  0.64  0.52  0.82  1.0
  Re  Re22  1  0.68  0.28  -0.0  1.0
  Re  Re23  1  0.68  0.28  0.64  1.0

Hf Hf Hf Hf Hf Hf Hf Hf Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re
Hf Hf Hf Hf Hf Hf Hf Hf Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re 0 10 o o o 0 5 o o o 1 17 - o o 1 19 o - - 1 16 o o o 1 11 - - o 2 6 o o o 2 3 o o o 2 9 o o o 2 13 o o o 3 13 o o o 4 16 o o + 4 15 o o + 4 19 + o o 4 8 o o o 4 11 o o + 5 9 o o o 5 22 - - o 5 23 o o o 6 9 o o o 6 13 o o o 7 13 o o o 7 12 o o o 7 8 o o o 11 16 o o o 11 15 o o o 12 14 o o o 12 13 o o o 15 20 o o - 15 17 o o o 15 16 o o o 17 20 o o - 18 19 o o o 21 22 o o o 21 23 o o o 