data_TlTc2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTc2Mo
_chemical_formula_sum   'Tl1 Tc2 Mo1'
_cell_volume   68.15
_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  0.0  0.0  0.51  1.0
  Tc  Tc1  1  0.56  0.56  0.5  1.0
  Tc  Tc2  1  0.56  0.56  0.52  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_TlTc2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlTc2Mo
_chemical_formula_sum   'Tl2 Tc4 Mo2'
_cell_volume   136.31
_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
  Tl  Tl0  2  0.0  0.0  0.51  1.0
  Tc  Tc1  2  0.06  0.5  0.5  1.0
  Tc  Tc2  2  0.06  0.5  0.52  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Tl Tc Tc Mo
Tl Tc Tc Mo 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 3 o o + 0 3 o o o 1 2 o o o 2 3 + + + 3 3 + o o 3 3 o + o 
MoTc2Tl crystallizes in the monoclinic Cm space group. Mo(1) is bonded to four equivalent Mo(1) and two equivalent Tl(1) atoms to form a mixture of corner and edge-sharing MoTl2Mo4 octahedra. The corner-sharing octahedra are not tilted. All Mo(1)-Mo(1) bond lengths are 3.12 Å. There is one shorter (3.45 Å) and one longer (3.57 Å) Mo(1)-Tl(1) bond length. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a single-bond geometry to one Tc(2) and four equivalent Tl(1) atoms. The Tc(1)-Tc(2) bond length is 0.18 Å. There are a spread of Tc(1)-Tl(1) bond distances ranging from 1.95-2.46 Å. In the second Tc site, Tc(2) is bonded in a single-bond geometry to one Tc(1) and four equivalent Tl(1) atoms. There are a spread of Tc(2)-Tl(1) bond distances ranging from 1.95-2.46 Å. Tl(1) is bonded in a distorted q4 geometry to two equivalent Mo(1), four equivalent Tc(1), and four equivalent Tc(2) atoms.