data_YTl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   131.48
_cell_angle_beta   131.48
_cell_angle_gamma   71.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTl2Mo
_chemical_formula_sum   'Y1 Tl2 Mo1'
_cell_volume   90.37
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.0  0.25  0.23  1.0
  Tl  Tl2  1  0.25  0.0  0.23  1.0
  Mo  Mo0  1  0.0  0.0  0.46  1.0

data_YTl2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   125.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTl2Mo
_chemical_formula_sum   'Y2 Tl4 Mo2'
_cell_volume   180.73
_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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.37  0.37  0.98  1.0
  Mo  Mo2  2  0.0  0.0  0.46  1.0

Y Tl Tl Mo
YMoTl2 crystallizes in the monoclinic Cm space group. Y(1) is bonded in an L-shaped geometry to two equivalent Mo(1) and two equivalent Tl(1) atoms. There is one shorter (2.51 Å) and one longer (2.97 Å) Y(1)-Mo(1) bond length. Both Y(1)-Tl(1) bond lengths are 1.09 Å. Mo(1) is bonded in a 6-coordinate geometry to two equivalent Y(1) and four equivalent Tl(1) atoms. There are two shorter (2.40 Å) and two longer (3.40 Å) Mo(1)-Tl(1) bond lengths. Tl(1) is bonded in a single-bond geometry to one Y(1) and two equivalent Mo(1) atoms.