data_Re2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   3.8
_cell_angle_alpha   107.46
_cell_angle_beta   107.46
_cell_angle_gamma   120.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2SbSe
_chemical_formula_sum   'Re2 Sb1 Se1'
_cell_volume   73.74
_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
  Re  Re0  1  0.18  0.3  0.52  1.0
  Re  Re1  1  0.18  0.7  0.52  1.0
  Sb  Sb2  1  0.64  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Re2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.26
_cell_length_c   5.31
_cell_angle_alpha   110.5
_cell_angle_beta   107.46
_cell_angle_gamma   98.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2SbSe
_chemical_formula_sum   'Re2 Sb1 Se1'
_cell_volume   73.74
_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
  Re  Re0  1  0.21  0.7  0.88  1.0
  Re  Re1  1  0.82  0.3  0.48  1.0
  Sb  Sb2  1  -0.0  0.0  0.64  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Re Re Sb Se
Re2SbSe crystallizes in the triclinic P1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one Re(2) and one Se(1) atom. The Re(1)-Re(2) bond length is 2.11 Å. The Re(1)-Se(1) bond length is 1.66 Å. In the second Re site, Re(2) is bonded in a 5-coordinate geometry to one Re(1), two equivalent Sb(1), and two equivalent Se(1) atoms. There is one shorter (1.89 Å) and one longer (2.71 Å) Re(2)-Sb(1) bond length. There is one shorter (2.76 Å) and one longer (3.09 Å) Re(2)-Se(1) bond length. Sb(1) is bonded in a 2-coordinate geometry to two equivalent Re(2) and one Se(1) atom. The Sb(1)-Se(1) bond length is 1.89 Å. Se(1) is bonded in a 2-coordinate geometry to one Re(1), two equivalent Re(2), and one Sb(1) atom.