data_Cr2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   6.11
_cell_length_c   3.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Br
_chemical_formula_sum   'Cr4 Br2'
_cell_volume   109.11
_cell_formula_units_Z   2
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  Cr2  1  0.7  0.61  0.0  1.0
  Cr  Cr3  1  0.9  0.5  0.0  1.0
  Cr  Cr4  1  0.49  0.55  0.6  1.0
  Cr  Cr5  1  0.1  0.56  0.6  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.8  0.05  0.6  1.0

data_Cr2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.59
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2Br
_chemical_formula_sum   'Cr4 Br2'
_cell_volume   109.11
_cell_formula_units_Z   2
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  Cr0  1  -0.0  0.9  0.5  1.0
  Cr  Cr1  1  -0.0  0.7  0.61  1.0
  Cr  Cr2  1  0.6  0.1  0.56  1.0
  Cr  Cr3  1  0.6  0.49  0.55  1.0
  Br  Br4  1  0.0  0.0  0.0  1.0
  Br  Br5  1  0.6  0.8  0.05  1.0

Cr Cr Cr Cr Br Br
Cr2Br crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one Cr(2), two equivalent Cr(3), one Br(1), and one Br(2) atom. The Cr(1)-Cr(2) bond length is 1.32 Å. There is one shorter (1.75 Å) and one longer (2.24 Å) Cr(1)-Cr(3) bond length. The Cr(1)-Br(1) bond length is 2.93 Å. The Cr(1)-Br(2) bond length is 3.06 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Cr(1), two equivalent Cr(4), one Br(1), and one Br(2) atom. There is one shorter (1.75 Å) and one longer (2.24 Å) Cr(2)-Cr(4) bond length. The Cr(2)-Br(1) bond length is 3.10 Å. The Cr(2)-Br(2) bond length is 3.06 Å. In the third Cr site, Cr(3) is bonded in a distorted trigonal planar geometry to one Cr(4) and two equivalent Cr(1) atoms. The Cr(3)-Cr(4) bond length is 2.19 Å. In the fourth Cr site, Cr(4) is bonded in a 4-coordinate geometry to one Cr(3), two equivalent Cr(2), and one Br(1) atom. The Cr(4)-Br(1) bond length is 3.06 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 5-coordinate geometry to one Cr(1), one Cr(2), one Cr(4), and two equivalent Br(2) atoms. There is one shorter (1.75 Å) and one longer (2.24 Å) Br(1)-Br(2) bond length. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Cr(1), one Cr(2), and two equivalent Br(1) atoms.