data_Tc2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2MoSe
_chemical_formula_sum   'Tc2 Mo1 Se1'
_cell_volume   60.38
_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
  Tc  Tc2  1  0.52  0.52  0.6  1.0
  Tc  Tc3  1  0.52  0.52  0.93  1.0
  Mo  Mo0  1  0.0  0.0  0.26  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Tc2MoSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2MoSe
_chemical_formula_sum   'Tc4 Mo2 Se2'
_cell_volume   120.76
_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
  Tc  Tc0  2  0.02  0.5  0.6  1.0
  Tc  Tc1  2  0.02  0.5  0.93  1.0
  Mo  Mo2  2  0.0  0.0  0.26  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Tc Tc Mo Se
MoTc2Se crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a single-bond geometry to four equivalent Tc(1) and one Se(1) atom. There are a spread of Mo(1)-Tc(1) bond distances ranging from 3.00-3.12 Å. The Mo(1)-Se(1) bond length is 1.71 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1), one Tc(2), and four equivalent Tc(1) atoms. The Tc(1)-Tc(2) bond length is 2.18 Å. All Tc(1)-Tc(1) bond lengths are 3.04 Å. In the second Tc site, Tc(2) is bonded in a 5-coordinate geometry to one Tc(1) and four equivalent Se(1) atoms. There are a spread of Tc(2)-Se(1) bond distances ranging from 2.11-2.29 Å. Se(1) is bonded to one Mo(1) and four equivalent Tc(2) atoms to form a mixture of distorted corner and edge-sharing SeTc4Mo square pyramids.