data_TlMoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.94
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMoSe2
_chemical_formula_sum   'Tl1 Mo1 Se2'
_cell_volume   109.48
_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
  Tl  Tl3  1  0.92  0.97  0.0  1.0
  Mo  Mo0  1  0.92  0.0  0.62  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.97  0.62  1.0

data_TlMoSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.94
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlMoSe2
_chemical_formula_sum   'Tl1 Mo1 Se2'
_cell_volume   109.48
_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
  Tl  Tl0  1  0.92  0.97  0.0  1.0
  Mo  Mo1  1  0.92  0.0  0.62  1.0
  Se  Se2  1  -0.0  0.97  0.62  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Tl Mo Se Se
Tl Mo Se Se 0 2 + + o 1 3 + - o 
MoSeTlSe is beta oxygen-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one molybdenum;selenium molecule and one selenium;thallium molecule.