data_Cr2GaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaB
_chemical_formula_sum   'Cr2 Ga1 B1'
_cell_volume   43.71
_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
  Cr  Cr1  1  0.0  0.73  0.83  1.0
  Cr  Cr2  1  0.73  0.0  0.83  1.0
  Ga  Ga3  1  0.73  0.73  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Cr2GaB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   3.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2GaB
_chemical_formula_sum   'Cr4 Ga2 B2'
_cell_volume   87.42
_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
  Cr  Cr0  4  0.36  0.36  0.83  1.0
  Ga  Ga1  2  0.23  0.5  -0.0  1.0
  B  B2  2  0.0  0.0  0.0  1.0

Cr Cr Ga B
Cr Cr Ga B 0 1 - + o 0 2 - o + 0 3 o + + 1 2 o - + 1 3 + o + 2 3 + + o 
Cr2GaB is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Cr2GaB clusters. Cr(1) is bonded in a 2-coordinate geometry to one Ga(1) and one B(1) atom. The Cr(1)-Ga(1) bond length is 1.13 Å. The Cr(1)-B(1) bond length is 1.13 Å. Ga(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1) atoms. B(1) is bonded in a 2-coordinate geometry to two equivalent Cr(1) atoms.