data_Re2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   7.04
_cell_angle_alpha   97.58
_cell_angle_beta   97.58
_cell_angle_gamma   35.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2Se
_chemical_formula_sum   'Re4 Se2'
_cell_volume   98.38
_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
  Re  Re0  1  0.29  0.0  0.79  1.0
  Re  Re1  1  0.14  0.0  0.19  1.0
  Re  Re2  1  0.6  0.0  0.31  1.0
  Re  Re3  1  0.83  0.0  0.66  1.0
  Se  Se4  1  0.84  0.0  0.56  1.0
  Se  Se5  1  0.6  0.0  0.42  1.0

data_Re2Se
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.0
_cell_length_b   4.94
_cell_length_c   7.04
_cell_angle_alpha   97.58
_cell_angle_beta   90.0
_cell_angle_gamma   107.67
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Re2Se
_chemical_formula_sum   'Re4 Se2'
_cell_volume   98.38
_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
  Re  Re0  2  0.0  0.12  0.68  1.0
  Re  Re1  2  0.0  0.43  0.2  1.0
  Se  Se2  2  0.0  0.12  0.57  1.0

Re Re Re Re Se Se
Re Re Re Re Se Se 0 4 - o o 0 3 - o o 0 3 o o o 0 1 o o + 0 0 + - o 1 1 + - o 1 2 - o o 1 2 o o o 1 5 o o o 2 5 o o o 3 4 o o o 
Re2Se crystallizes in the triclinic P-1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 7-coordinate geometry to two equivalent Re(2), three equivalent Re(1), and two equivalent Se(1) atoms. There is one shorter (2.31 Å) and one longer (2.93 Å) Re(1)-Re(2) bond length. There are two shorter (3.00 Å) and one longer (3.01 Å) Re(1)-Re(1) bond length. There is one shorter (2.58 Å) and one longer (3.18 Å) Re(1)-Se(1) bond length. In the second Re site, Re(2) is bonded in a single-bond geometry to two equivalent Re(1) and one Se(1) atom. The Re(2)-Se(1) bond length is 0.74 Å. Se(1) is bonded in a single-bond geometry to one Re(2) and two equivalent Re(1) atoms.