data_TlGeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.93
_cell_length_c   8.93
_cell_angle_alpha   19.69
_cell_angle_beta   19.69
_cell_angle_gamma   19.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGeMo2
_chemical_formula_sum   'Tl1 Ge1 Mo2'
_cell_volume   70.75
_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  0.13  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.77  1.0
  Mo  Mo2  1  0.0  0.0  0.49  1.0

data_TlGeMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlGeMo2
_chemical_formula_sum   'Tl2 Ge2 Mo4'
_cell_volume   141.51
_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  0.87  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.23  1.0
  Mo  Mo3  2  0.0  0.0  0.51  1.0

Tl Ge Mo Mo
Tl Ge Mo Mo 0 1 o o o 0 3 o o o 1 2 o o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
Mo2TlGe crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted single-bond geometry to one Mo(2) and one Ge(1) atom. The Mo(1)-Mo(2) bond length is 2.50 Å. The Mo(1)-Ge(1) bond length is 2.02 Å. In the second Mo site, Mo(2) is bonded in a 8-coordinate geometry to one Mo(1), six equivalent Mo(2), and one Tl(1) atom. All Mo(2)-Mo(2) bond lengths are 3.05 Å. The Mo(2)-Tl(1) bond length is 3.22 Å. Tl(1) is bonded in a single-bond geometry to one Mo(2) and one Ge(1) atom. The Tl(1)-Ge(1) bond length is 1.19 Å. Ge(1) is bonded in a distorted single-bond geometry to one Mo(1) and one Tl(1) atom.