data_CdMo2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.31
_cell_angle_alpha   104.91
_cell_angle_beta   104.91
_cell_angle_gamma   38.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMo2Se
_chemical_formula_sum   'Cd1 Mo2 Se1'
_cell_volume   75.87
_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  0.92  0.0  0.55  1.0
  Mo  Mo1  1  0.57  0.0  0.88  1.0
  Mo  Mo2  1  0.26  0.0  0.22  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_CdMo2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.91
_cell_length_c   5.31
_cell_angle_alpha   104.91
_cell_angle_beta   90.0
_cell_angle_gamma   109.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMo2Se
_chemical_formula_sum   'Cd1 Mo2 Se1'
_cell_volume   75.87
_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  0.08  0.45  1.0
  Mo  Mo1  1  0.0  0.43  0.12  1.0
  Mo  Mo2  1  0.0  0.74  0.78  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Cd Mo Mo Se
Cd Mo Mo Se 0 1 o o o 0 2 + o o 0 3 + o + 1 3 + o + 2 3 o o o 
Mo2CdSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mo2CdSe cluster. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Se(1) atom. The Mo(1)-Se(1) bond length is 2.03 Å. In the second Mo site, Mo(2) is bonded in a distorted single-bond geometry to one Se(1) atom. The Mo(2)-Se(1) bond length is 1.51 Å. Cd(1) is bonded in a 1-coordinate geometry to one Se(1) atom. The Cd(1)-Se(1) bond length is 2.30 Å. Se(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Cd(1) atom.