data_TeMoSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeMoSe2
_chemical_formula_sum   'Te1 Mo1 Se2'
_cell_volume   78.42
_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
  Te  Te3  1  0.44  0.44  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.44  0.65  1.0
  Se  Se2  1  0.44  0.0  0.65  1.0

data_TeMoSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.9
_cell_length_b   6.9
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TeMoSe2
_chemical_formula_sum   'Te2 Mo2 Se4'
_cell_volume   156.83
_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
  Te  Te0  2  0.44  0.0  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  Se  Se2  4  0.22  0.22  0.65  1.0

Te Mo Se Se
MoTeSe2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. There are a spread of Mo(1)-Se(1) bond distances ranging from 2.43-3.02 Å. Te(1) is bonded in a 6-coordinate geometry to six equivalent Se(1) atoms. There are a spread of Te(1)-Se(1) bond distances ranging from 2.43-3.02 Å. Se(1) is bonded in a 6-coordinate geometry to three equivalent Mo(1) and three equivalent Te(1) atoms.