data_BeCr2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.15
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Br
_chemical_formula_sum   'Be1 Cr2 Br1'
_cell_volume   51.52
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.49  0.08  0.0  1.0
  Cr  Cr3  1  0.0  0.08  0.09  1.0
  Br  Br1  1  0.49  0.0  0.09  1.0

data_BeCr2Br
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.15
_cell_length_b   2.97
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeCr2Br
_chemical_formula_sum   'Be1 Cr2 Br1'
_cell_volume   51.52
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.08  0.0  0.09  1.0
  Cr  Cr2  1  0.08  0.5  -0.0  1.0
  Br  Br3  1  0.0  0.5  0.09  1.0

Be Cr Cr Br
BeCrCrBr is alpha carbon monoxide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeCr cluster and one CrBr cluster. In the BeCr cluster, Be(1) is bonded in a single-bond geometry to one Cr(2) atom. The Be(1)-Cr(2) bond length is 0.48 Å. Cr(2) is bonded in a single-bond geometry to one Be(1) atom. In the CrBr cluster, Cr(1) is bonded in a single-bond geometry to one Br(1) atom. The Cr(1)-Br(1) bond length is 0.48 Å. Br(1) is bonded in a single-bond geometry to one Cr(1) atom.