data_Be2CoB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   4.01
_cell_angle_alpha   136.07
_cell_angle_beta   136.07
_cell_angle_gamma   63.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2CoB
_chemical_formula_sum   'Be2 Co1 B1'
_cell_volume   30.56
_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  Be1  1  0.5  0.0  0.7  1.0
  Be  Be2  1  0.0  0.5  0.7  1.0
  Co  Co3  1  0.0  0.0  0.4  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Be2CoB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   121.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2CoB
_chemical_formula_sum   'Be4 Co2 B2'
_cell_volume   61.12
_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  4  0.05  0.25  0.8  1.0
  Co  Co1  2  0.1  0.5  0.6  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Be Be Co B
Be2CoB crystallizes in the monoclinic Cm space group. Be(1) is bonded in a distorted linear geometry to one Co(1) and two equivalent B(1) atoms. The Be(1)-Co(1) bond length is 1.41 Å. There is one shorter (1.41 Å) and one longer (1.95 Å) Be(1)-B(1) bond length. Co(1) is bonded in a 3-coordinate geometry to two equivalent Be(1) and two equivalent B(1) atoms. There is one shorter (1.60 Å) and one longer (2.40 Å) Co(1)-B(1) bond length. B(1) is bonded in a 6-coordinate geometry to four equivalent Be(1) and two equivalent Co(1) atoms.