data_GaCuB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuB
_chemical_formula_sum   'Ga1 Cu1 B1'
_cell_volume   35.77
_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
  Ga  Ga2  1  0.4  0.81  0.66  1.0
  Cu  Cu1  1  0.0  0.61  0.51  1.0
  B  B0  1  0.0  0.0  0.11  1.0

data_GaCuB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuB
_chemical_formula_sum   'Ga1 Cu1 B1'
_cell_volume   35.77
_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
  Ga  Ga0  1  0.4  0.81  0.66  1.0
  Cu  Cu1  1  0.0  0.61  0.51  1.0
  B  B2  1  0.0  0.0  0.11  1.0

Ga Cu B
CuGaB crystallizes in the triclinic P1 space group. Cu(1) is bonded in a distorted single-bond geometry to one Ga(1) and two equivalent B(1) atoms. The Cu(1)-Ga(1) bond length is 1.26 Å. There is one shorter (2.39 Å) and one longer (2.74 Å) Cu(1)-B(1) bond length. Ga(1) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent B(1) atoms. There is one shorter (2.76 Å) and one longer (2.77 Å) Ga(1)-B(1) bond length. B(1) is bonded in a 4-coordinate geometry to two equivalent Cu(1) and two equivalent Ga(1) atoms.