data_Cu4Re3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Re3
_chemical_formula_sum   'Cu4 Re3'
_cell_volume   103.03
_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
  Cu  Cu0  1  0.0  0.0  0.5  1.0
  Cu  Cu1  1  0.0  0.0  0.18  1.0
  Cu  Cu2  1  0.0  0.91  0.0  1.0
  Cu  Cu3  1  0.52  0.46  0.0  1.0
  Re  Re4  1  0.52  0.0  0.34  1.0
  Re  Re5  1  0.74  0.18  0.34  1.0
  Re  Re6  1  0.26  0.18  0.34  1.0

data_Cu4Re3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.68
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu4Re3
_chemical_formula_sum   'Cu4 Re3'
_cell_volume   103.03
_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
  Cu  Cu0  1  0.0  0.0  0.91  1.0
  Cu  Cu1  1  0.0  0.52  0.46  1.0
  Cu  Cu2  1  0.18  0.0  0.0  1.0
  Re  Re3  1  0.34  0.26  0.18  1.0
  Re  Re4  1  0.34  0.52  0.0  1.0
  Re  Re5  1  0.34  0.74  0.18  1.0
  Cu  Cu6  1  0.5  0.0  0.0  1.0

Cu Cu Cu Cu Re Re Re
Re3Cu4 crystallizes in the triclinic P1 space group. There are three inequivalent Re sites. In the first Re site, Re(1) is bonded in a distorted single-bond geometry to one Re(2) and one Re(3) atom. The Re(1)-Re(2) bond length is 1.02 Å. The Re(1)-Re(3) bond length is 1.95 Å. In the second Re site, Re(2) is bonded in a single-bond geometry to one Re(1) and one Cu(1) atom. The Re(2)-Cu(1) bond length is 2.09 Å. In the third Re site, Re(3) is bonded in a 4-coordinate geometry to one Re(1), one Cu(1), one Cu(2), and one Cu(4) atom. The Re(3)-Cu(1) bond length is 1.39 Å. The Re(3)-Cu(2) bond length is 1.39 Å. The Re(3)-Cu(4) bond length is 2.08 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Re(2), one Re(3), one Cu(2), and one Cu(3) atom. The Cu(1)-Cu(2) bond length is 1.50 Å. The Cu(1)-Cu(3) bond length is 2.38 Å. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one Re(3), one Cu(1), and one Cu(3) atom. The Cu(2)-Cu(3) bond length is 0.95 Å. In the third Cu site, Cu(3) is bonded in a single-bond geometry to one Cu(1), one Cu(2), and one Cu(4) atom. The Cu(3)-Cu(4) bond length is 2.36 Å. In the fourth Cu site, Cu(4) is bonded in a 2-coordinate geometry to one Re(3) and one Cu(3) atom.