data_Tl2BMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BMo
_chemical_formula_sum   'Tl2 B1 Mo1'
_cell_volume   76.94
_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  Tl2  1  0.52  0.0  0.51  1.0
  Tl  Tl3  1  0.0  0.52  0.51  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.52  0.52  0.0  1.0

data_Tl2BMo
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.02
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Tl2BMo
_chemical_formula_sum   'Tl4 B2 Mo2'
_cell_volume   153.87
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.5  0.24  0.76  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.52  1.0

Tl Tl B Mo
Tl Tl B Mo 0 2 o o o 0 2 o o + 0 2 + o o 0 2 + o + 0 3 o - o 0 3 o - + 0 3 o o o 0 3 o o + 0 1 + - o 0 0 o o + 1 3 - o o 1 3 - o + 1 3 o o o 1 3 o o + 1 2 o o o 1 2 o o + 1 2 o + o 1 2 o + + 1 1 o o + 2 3 - - o 2 2 o o + 3 3 o o + 
MoTl2B crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Tl(1) atoms. There are a spread of Mo(1)-Tl(1) bond distances ranging from 2.83-3.06 Å. Tl(1) is bonded in a 6-coordinate geometry to four equivalent Mo(1) and four equivalent B(1) atoms. There are a spread of Tl(1)-B(1) bond distances ranging from 2.83-3.06 Å. B(1) is bonded in a 8-coordinate geometry to eight equivalent Tl(1) atoms.