data_BaGaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaMo2
_chemical_formula_sum   'Ba1 Ga1 Mo2'
_cell_volume   85.28
_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
  Ba  Ba0  1  0.72  0.0  0.89  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.72  0.0  0.66  1.0
  Mo  Mo3  1  0.0  0.0  0.81  1.0

data_BaGaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaMo2
_chemical_formula_sum   'Ba1 Ga1 Mo2'
_cell_volume   85.28
_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
  Ba  Ba0  1  0.72  0.0  0.89  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.81  1.0
  Mo  Mo3  1  0.72  0.0  0.66  1.0

Ba Ga Mo Mo
Ba Ga Mo Mo 0 3 + o o 0 1 + o + 2 3 + o o 
BaMo2Ga crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaMo2Ga cluster. Ba(1) is bonded in a distorted L-shaped geometry to one Mo(2) and one Ga(1) atom. The Ba(1)-Mo(2) bond length is 1.18 Å. The Ba(1)-Ga(1) bond length is 1.39 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Mo(2) atom. The Mo(1)-Mo(2) bond length is 1.73 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Ba(1) and one Mo(1) atom. Ga(1) is bonded in a single-bond geometry to one Ba(1) atom.