data_Cd(GaMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.85
_cell_angle_alpha   148.05
_cell_angle_beta   148.05
_cell_angle_gamma   45.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd(GaMo)2
_chemical_formula_sum   'Cd1 Ga2 Mo2'
_cell_volume   89.56
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.88  0.15  1.0
  Ga  Ga2  1  0.88  0.0  0.15  1.0
  Mo  Mo3  1  0.0  0.0  0.52  1.0
  Mo  Mo4  1  0.0  0.0  0.09  1.0

data_Cd(GaMo)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   112.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd(GaMo)2
_chemical_formula_sum   'Cd2 Ga4 Mo4'
_cell_volume   179.12
_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
  Cd  Cd0  2  0.0  0.0  0.0  1.0
  Ga  Ga1  4  0.44  0.44  0.73  1.0
  Mo  Mo2  2  0.0  0.0  0.48  1.0
  Mo  Mo3  2  0.0  0.0  0.91  1.0

Cd Ga Ga Mo Mo
Cd Ga Ga Mo Mo 0 4 o o o 1 2 - + o 1 3 o + o 2 3 + o o 
Cd(MoGa)2 crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Cd(1) and four equivalent Ga(1) atoms. The Mo(1)-Cd(1) bond length is 3.27 Å. There are two shorter (1.90 Å) and two longer (3.31 Å) Mo(1)-Ga(1) bond lengths. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Cd(1) and two equivalent Ga(1) atoms. The Mo(2)-Cd(1) bond length is 0.62 Å. Both Mo(2)-Ga(1) bond lengths are 1.18 Å. Cd(1) is bonded in a single-bond geometry to one Mo(1) and one Mo(2) atom. Ga(1) is bonded in a 3-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Ga(1) atom. The Ga(1)-Ga(1) bond length is 0.62 Å.