data_HfRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   7.04
_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   'Hf2 Re4'
_cell_volume   109.33
_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  0.76  1.0
  Hf  Hf1  1  0.0  0.0  0.28  1.0
  Re  Re2  1  0.0  0.44  0.33  1.0
  Re  Re3  1  0.0  0.44  0.19  1.0
  Re  Re4  1  0.12  0.22  0.85  1.0
  Re  Re5  1  0.12  0.22  0.72  1.0

data_HfRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   7.04
_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   'Hf2 Re4'
_cell_volume   109.33
_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  0.28  1.0
  Hf  Hf1  1  0.0  0.0  0.76  1.0
  Re  Re2  1  0.0  0.44  0.19  1.0
  Re  Re3  1  0.0  0.44  0.33  1.0
  Re  Re4  1  0.12  0.22  0.72  1.0
  Re  Re5  1  0.12  0.22  0.85  1.0

Hf Hf Re Re Re Re