data_BaCuRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   148.41
_cell_angle_beta   148.41
_cell_angle_gamma   45.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuRe
_chemical_formula_sum   'Ba1 Cu1 Re1'
_cell_volume   67.44
_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
  Ba  Ba0  1  0.0  0.0  0.03  1.0
  Cu  Cu1  1  0.0  0.0  0.26  1.0
  Re  Re2  1  0.0  0.0  0.29  1.0

data_BaCuRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   112.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCuRe
_chemical_formula_sum   'Ba2 Cu2 Re2'
_cell_volume   134.87
_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
  Ba  Ba0  2  0.03  0.0  0.03  1.0
  Cu  Cu1  2  0.26  0.0  0.26  1.0
  Re  Re2  2  0.29  0.0  0.29  1.0

Ba Cu Re
Ba Cu Re 0 2 o o o 0 1 o o o 1 2 o o o 
BaReCu is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaReCu clusters. Ba(1) is bonded in a single-bond geometry to one Cu(1) atom. The Ba(1)-Cu(1) bond length is 1.44 Å. Re(1) is bonded in a single-bond geometry to one Cu(1) atom. The Re(1)-Cu(1) bond length is 0.21 Å. Cu(1) is bonded in a linear geometry to one Ba(1) and one Re(1) atom.