data_TlSn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn2Mo
_chemical_formula_sum   'Tl1 Sn2 Mo1'
_cell_volume   97.14
_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  0.48  1.0
  Sn  Sn1  1  0.65  0.65  0.72  1.0
  Sn  Sn2  1  0.65  0.65  0.24  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_TlSn2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlSn2Mo
_chemical_formula_sum   'Tl2 Sn4 Mo2'
_cell_volume   194.28
_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  0.48  1.0
  Sn  Sn1  2  0.15  0.5  0.24  1.0
  Sn  Sn2  2  0.15  0.5  0.72  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Tl Sn Sn Mo
Tl Sn Sn Mo 0 2 - - o 0 2 - o o 0 2 o - o 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 0 + o o 0 0 o + o 1 3 o + + 1 3 + o + 1 3 + + + 1 1 + o o 1 1 o + o 2 3 o + o 2 3 + o o 2 3 + + o 2 3 o o o 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
MoTlSn2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 10-coordinate geometry to four equivalent Mo(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. All Mo(1)-Mo(1) bond lengths are 3.29 Å. There is one shorter (3.02 Å) and two longer (3.51 Å) Mo(1)-Sn(1) bond lengths. There is one shorter (2.74 Å) and two longer (3.27 Å) Mo(1)-Sn(2) bond lengths. Tl(1) is bonded in a 2-coordinate geometry to one Sn(2) and three equivalent Sn(1) atoms. The Tl(1)-Sn(2) bond length is 2.68 Å. There is one shorter (2.68 Å) and two longer (3.22 Å) Tl(1)-Sn(1) bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to three equivalent Mo(1), three equivalent Tl(1), and four equivalent Sn(1) atoms. All Sn(1)-Sn(1) bond lengths are 3.29 Å. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to three equivalent Mo(1) and one Tl(1) atom.