data_NaRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe3
_chemical_formula_sum   'Na2 Re6'
_cell_volume   137.89
_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
  Na  Na0  1  0.61  0.4  0.12  1.0
  Na  Na1  1  0.61  0.6  0.37  1.0
  Re  Re2  1  0.61  0.51  0.37  1.0
  Re  Re3  1  0.61  0.49  0.12  1.0
  Re  Re4  1  0.41  0.42  0.37  1.0
  Re  Re5  1  0.82  0.58  0.12  1.0
  Re  Re6  1  0.82  0.42  0.37  1.0
  Re  Re7  1  0.41  0.58  0.12  1.0

data_NaRe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.5
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   99.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaRe3
_chemical_formula_sum   'Na2 Re6'
_cell_volume   137.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Na  Na0  2  0.12  0.5  0.6  1.0
  Re  Re1  2  0.12  0.3  0.42  1.0
  Re  Re2  2  0.12  0.5  0.51  1.0
  Re  Re3  2  0.12  0.7  0.42  1.0

Na Na Re Re Re Re Re Re
Na Na Re Re Re Re Re Re 0 3 o o o 0 5 o o o 0 6 o o o 0 7 o o o 1 2 o o o 1 4 o o o 1 6 o o o 1 7 o o o 2 4 o o o 2 6 o o o 3 5 o o o 3 7 o o o 4 7 o o o 5 6 o o o 
NaRe3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one NaRe3 cluster. Na(1) is bonded in a single-bond geometry to one Re(1), one Re(3), and two equivalent Re(2) atoms. The Na(1)-Re(1) bond length is 0.51 Å. The Na(1)-Re(3) bond length is 1.59 Å. There is one shorter (1.39 Å) and one longer (1.61 Å) Na(1)-Re(2) bond length. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a single-bond geometry to one Na(1), one Re(2), and one Re(3) atom. The Re(1)-Re(2) bond length is 1.17 Å. The Re(1)-Re(3) bond length is 1.31 Å. In the second Re site, Re(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Re(1), and one Re(3) atom. The Re(2)-Re(3) bond length is 1.43 Å. In the third Re site, Re(3) is bonded in a 3-coordinate geometry to one Na(1), one Re(1), and one Re(2) atom.