data_MnGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGa2B
_chemical_formula_sum   'Mn1 Ga2 B1'
_cell_volume   47.49
_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
  Mn  Mn3  1  0.0  0.0  0.37  1.0
  Ga  Ga1  1  0.58  0.58  0.17  1.0
  Ga  Ga2  1  0.58  0.58  0.57  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_MnGa2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnGa2B
_chemical_formula_sum   'Mn2 Ga4 B2'
_cell_volume   94.98
_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
  Mn  Mn0  2  0.0  0.0  0.37  1.0
  Ga  Ga1  2  0.08  0.5  0.17  1.0
  Ga  Ga2  2  0.08  0.5  0.57  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Mn Ga Ga B
MnGa2B crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a 1-coordinate geometry to three equivalent Ga(2), four equivalent Ga(1), and one B(1) atom. There is one shorter (2.10 Å) and two longer (2.47 Å) Mn(1)-Ga(2) bond lengths. There are a spread of Mn(1)-Ga(1) bond distances ranging from 2.10-2.78 Å. The Mn(1)-B(1) bond length is 1.75 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 10-coordinate geometry to four equivalent Mn(1), two equivalent Ga(2), and four equivalent B(1) atoms. There is one shorter (1.93 Å) and one longer (2.81 Å) Ga(1)-Ga(2) bond length. There are a spread of Ga(1)-B(1) bond distances ranging from 2.02-2.72 Å. In the second Ga site, Ga(2) is bonded in a 4-coordinate geometry to three equivalent Mn(1) and two equivalent Ga(1) atoms. B(1) is bonded in a 1-coordinate geometry to one Mn(1) and four equivalent Ga(1) atoms.