data_BeCoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   143.25
_cell_angle_beta   143.25
_cell_angle_gamma   52.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoBr
_chemical_formula_sum   'Be1 Co1 Br1'
_cell_volume   42.69
_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  0.4  1.0
  Co  Co2  1  0.0  0.0  0.43  1.0
  Br  Br1  1  0.0  0.0  0.01  1.0

data_BeCoBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   116.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCoBr
_chemical_formula_sum   'Be2 Co2 Br2'
_cell_volume   85.37
_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
  Be  Be0  2  0.4  0.0  0.4  1.0
  Co  Co1  2  0.43  0.0  0.43  1.0
  Br  Br2  2  0.01  0.0  0.01  1.0

Be Co Br
Be Co Br 0 1 o o o 0 2 o o o 1 2 o o o 
BeCoBr is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BeCoBr clusters. Be(1) is bonded in a distorted linear geometry to one Co(1) and one Br(1) atom. The Be(1)-Co(1) bond length is 0.16 Å. The Be(1)-Br(1) bond length is 1.92 Å. Co(1) is bonded in a single-bond geometry to one Be(1) atom. Br(1) is bonded in a distorted single-bond geometry to one Be(1) atom.