data_ReAu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAu2Se
_chemical_formula_sum   'Re1 Au2 Se1'
_cell_volume   72.3
_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  Re2  1  0.59  0.59  0.0  1.0
  Au  Au0  1  0.0  0.59  0.35  1.0
  Au  Au1  1  0.59  0.0  0.35  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_ReAu2Se
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReAu2Se
_chemical_formula_sum   'Re2 Au4 Se2'
_cell_volume   144.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.09  0.5  0.0  1.0
  Au  Au1  4  0.29  0.29  0.35  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Re Au Au Se
ReAu2Se crystallizes in the monoclinic Cm space group. Re(1) is bonded in a 2-coordinate geometry to two equivalent Au(1) and one Se(1) atom. Both Re(1)-Au(1) bond lengths are 2.34 Å. The Re(1)-Se(1) bond length is 3.03 Å. Au(1) is bonded in a 1-coordinate geometry to one Re(1) and three equivalent Se(1) atoms. There are a spread of Au(1)-Se(1) bond distances ranging from 2.34-3.18 Å. Se(1) is bonded in a 9-coordinate geometry to one Re(1), six equivalent Au(1), and two equivalent Se(1) atoms. Both Se(1)-Se(1) bond lengths are 2.70 Å.