data_Cr2ReCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2ReCl
_chemical_formula_sum   'Cr2 Re1 Cl1'
_cell_volume   53.1
_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
  Cr  Cr1  1  0.41  0.41  0.65  1.0
  Cr  Cr2  1  0.41  0.41  0.01  1.0
  Re  Re3  1  0.0  0.0  0.33  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Cr2ReCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2ReCl
_chemical_formula_sum   'Cr4 Re2 Cl2'
_cell_volume   106.2
_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
  Cr  Cr0  2  0.41  0.0  0.01  1.0
  Cr  Cr1  2  0.41  0.0  0.65  1.0
  Re  Re2  2  0.0  0.0  0.33  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Cr Cr Re Cl
Cr2ReCl crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 12-coordinate geometry to one Cr(2), four equivalent Cr(1), four equivalent Re(1), and three equivalent Cl(1) atoms. The Cr(1)-Cr(2) bond length is 2.41 Å. All Cr(1)-Cr(1) bond lengths are 2.82 Å. There are a spread of Cr(1)-Re(1) bond distances ranging from 2.69-3.17 Å. There is one shorter (2.87 Å) and two longer (3.10 Å) Cr(1)-Cl(1) bond lengths. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one Cr(1) and four equivalent Cl(1) atoms. There are a spread of Cr(2)-Cl(1) bond distances ranging from 1.65-2.35 Å. Re(1) is bonded in a distorted single-bond geometry to four equivalent Cr(1) and one Cl(1) atom. The Re(1)-Cl(1) bond length is 2.19 Å. Cl(1) is bonded in a 5-coordinate geometry to three equivalent Cr(1), four equivalent Cr(2), and one Re(1) atom.