data_Ta2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   146.03
_cell_angle_beta   134.65
_cell_angle_gamma   57.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MoSe
_chemical_formula_sum   'Ta2 Mo1 Se1'
_cell_volume   69.03
_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
  Ta  Ta2  1  0.63  0.0  0.08  1.0
  Ta  Ta3  1  0.0  0.0  0.6  1.0
  Mo  Mo0  1  0.0  0.16  0.03  1.0
  Se  Se1  1  0.0  0.0  0.09  1.0

data_Ta2MoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.31
_cell_length_c   5.59
_cell_angle_alpha   112.68
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2MoSe
_chemical_formula_sum   'Ta2 Mo1 Se1'
_cell_volume   69.03
_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
  Ta  Ta0  1  0.4  0.4  0.4  1.0
  Ta  Ta1  1  0.56  0.92  0.56  1.0
  Mo  Mo2  1  0.97  0.13  0.13  1.0
  Se  Se3  1  0.91  0.91  0.91  1.0

Ta Ta Mo Se
Ta2MoSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2MoSe cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Se(1) atom. The Ta(1)-Se(1) bond length is 2.00 Å. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Mo(1) atom. The Ta(2)-Mo(1) bond length is 1.76 Å. Mo(1) is bonded in a 2-coordinate geometry to one Ta(2) and one Se(1) atom. The Mo(1)-Se(1) bond length is 1.16 Å. Se(1) is bonded in a distorted bent 120 degrees geometry to one Ta(1) and one Mo(1) atom.