data_CoMoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12
_cell_length_b   9.12
_cell_length_c   9.12
_cell_angle_alpha   19.62
_cell_angle_beta   19.62
_cell_angle_gamma   19.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoMoSe2
_chemical_formula_sum   'Co1 Mo1 Se2'
_cell_volume   74.88
_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
  Co  Co0  1  0.0  0.0  0.5  1.0
  Mo  Mo1  1  0.0  0.0  0.22  1.0
  Se  Se2  1  0.0  0.0  0.58  1.0
  Se  Se3  1  0.0  0.0  0.95  1.0

data_CoMoSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   101.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoMoSe2
_chemical_formula_sum   'Co2 Mo2 Se4'
_cell_volume   149.77
_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
  Co  Co0  2  0.0  0.0  0.5  1.0
  Mo  Mo1  2  0.0  0.0  0.78  1.0
  Se  Se2  2  0.0  0.0  0.05  1.0
  Se  Se3  2  0.0  0.0  0.42  1.0

Co Mo Se Se
Co Mo Se Se 0 2 o o o 0 1 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
MoCoSe2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MoCoSe2 clusters. Mo(1) is bonded in a linear geometry to one Co(1) and one Se(2) atom. The Mo(1)-Co(1) bond length is 2.55 Å. The Mo(1)-Se(2) bond length is 2.49 Å. Co(1) is bonded in a single-bond geometry to one Mo(1) and one Se(1) atom. The Co(1)-Se(1) bond length is 0.77 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one Co(1) atom. In the second Se site, Se(2) is bonded in a single-bond geometry to one Mo(1) atom.