data_BeCo2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2Br
_chemical_formula_sum   'Be1 Co2 Br1'
_cell_volume   53.65
_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  0.42  1.0
  Co  Co2  1  0.0  0.0  0.27  1.0
  Co  Co3  1  0.53  0.53  0.69  1.0
  Br  Br1  1  0.53  0.53  0.25  1.0

data_BeCo2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCo2Br
_chemical_formula_sum   'Be2 Co4 Br2'
_cell_volume   107.31
_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  0.0  0.0  0.42  1.0
  Co  Co1  2  0.0  0.0  0.27  1.0
  Co  Co2  2  0.03  0.5  0.69  1.0
  Br  Br3  2  0.03  0.5  0.25  1.0

Be Co Co Br
Be Co Co Br 0 1 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 2 + o o 2 2 o + o 2 3 o o o 
BeCo2Br crystallizes in the monoclinic Cm space group. Be(1) is bonded in a single-bond geometry to one Co(1), four equivalent Co(2), and four equivalent Br(1) atoms. The Be(1)-Co(1) bond length is 0.87 Å. There are a spread of Be(1)-Co(2) bond distances ranging from 2.55-2.74 Å. There are a spread of Be(1)-Br(1) bond distances ranging from 2.27-2.48 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted single-bond geometry to one Be(1) and four equivalent Br(1) atoms. There are a spread of Co(1)-Br(1) bond distances ranging from 2.05-2.28 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to four equivalent Be(1) and two equivalent Br(1) atoms. There is one shorter (2.51 Å) and one longer (3.24 Å) Co(2)-Br(1) bond length. Br(1) is bonded in a 10-coordinate geometry to four equivalent Be(1), two equivalent Co(2), and four equivalent Co(1) atoms.