data_Cu2ReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16
_cell_length_b   9.16
_cell_length_c   9.16
_cell_angle_alpha   16.8
_cell_angle_beta   16.8
_cell_angle_gamma   16.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2ReMo
_chemical_formula_sum   'Cu2 Re1 Mo1'
_cell_volume   55.94
_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  0.34  1.0
  Cu  Cu1  1  0.0  0.0  0.74  1.0
  Re  Re3  1  0.0  0.0  0.54  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Cu2ReMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   2.68
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   99.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cu2ReMo
_chemical_formula_sum   'Cu4 Re2 Mo2'
_cell_volume   111.88
_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
  Cu  Cu0  2  0.0  0.0  0.26  1.0
  Re  Re1  2  0.0  0.0  0.46  1.0
  Cu  Cu2  2  0.0  0.0  0.66  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Cu Cu Re Mo
Cu Cu Re Mo 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o + 3 3 o + - 3 3 + - o 3 3 + o - 
MoReCu2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 1-coordinate geometry to one Cu(1) and one Cu(2) atom. The Mo(1)-Cu(1) bond length is 3.08 Å. The Mo(1)-Cu(2) bond length is 2.37 Å. Re(1) is bonded in a distorted linear geometry to one Cu(1) and one Cu(2) atom. The Re(1)-Cu(1) bond length is 1.85 Å. The Re(1)-Cu(2) bond length is 1.85 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 8-coordinate geometry to one Mo(1), one Re(1), and six equivalent Cu(1) atoms. All Cu(1)-Cu(1) bond lengths are 2.68 Å. In the second Cu site, Cu(2) is bonded in a distorted linear geometry to one Mo(1) and one Re(1) atom.