data_Ga2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44
_cell_length_b   9.44
_cell_length_c   9.44
_cell_angle_alpha   17.96
_cell_angle_beta   17.96
_cell_angle_gamma   17.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2MoSe
_chemical_formula_sum   'Ga2 Mo1 Se1'
_cell_volume   69.85
_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  0.0  0.0  0.75  1.0
  Ga  Ga1  1  0.0  0.0  0.11  1.0
  Mo  Mo2  1  0.0  0.0  0.93  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Ga2MoSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   2.95
_cell_length_c   9.44
_cell_angle_alpha   90.0
_cell_angle_beta   100.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2MoSe
_chemical_formula_sum   'Ga4 Mo2 Se2'
_cell_volume   139.7
_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
  Ga  Ga0  2  0.0  0.0  0.25  1.0
  Ga  Ga1  2  0.0  0.0  0.89  1.0
  Mo  Mo2  2  0.0  0.0  0.07  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Ga Ga Mo Se
MoGa2Se is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoGa2Se clusters. Mo(1) is bonded in a distorted single-bond geometry to one Ga(1) and one Se(1) atom. The Mo(1)-Ga(1) bond length is 1.73 Å. The Mo(1)-Se(1) bond length is 0.67 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a single-bond geometry to one Mo(1) atom. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Se(1) atom. The Ga(2)-Se(1) bond length is 1.06 Å. Se(1) is bonded in a linear geometry to one Mo(1) and one Ga(2) atom.