data_TlCdInMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdInMo
_chemical_formula_sum   'Tl1 Cd1 In1 Mo1'
_cell_volume   93.43
_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  0.6  0.6  0.6  1.0
  Cd  Cd0  1  0.4  0.4  0.4  1.0
  In  In1  1  0.8  0.8  0.8  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_TlCdInMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TlCdInMo
_chemical_formula_sum   'Tl3 Cd3 In3 Mo3'
_cell_volume   280.3
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.4  1.0
  Cd  Cd1  3  0.0  0.0  0.6  1.0
  In  In2  3  0.0  0.0  0.2  1.0
  Mo  Mo3  3  0.0  0.0  -0.0  1.0

Tl Cd In Mo
MoCdTlIn crystallizes in the trigonal R3m space group. Mo(1) is bonded in a 10-coordinate geometry to three equivalent Cd(1), three equivalent Tl(1), and four equivalent In(1) atoms. All Mo(1)-Cd(1) bond lengths are 3.06 Å. All Mo(1)-Tl(1) bond lengths are 3.05 Å. There is one shorter (2.49 Å) and three longer (3.38 Å) Mo(1)-In(1) bond lengths. Cd(1) is bonded in a 10-coordinate geometry to three equivalent Mo(1), four equivalent Tl(1), and three equivalent In(1) atoms. There is one shorter (2.49 Å) and three longer (3.38 Å) Cd(1)-Tl(1) bond lengths. All Cd(1)-In(1) bond lengths are 3.05 Å. Tl(1) is bonded in a 5-coordinate geometry to three equivalent Mo(1), four equivalent Cd(1), and one In(1) atom. The Tl(1)-In(1) bond length is 2.49 Å. In(1) is bonded in a distorted linear geometry to four equivalent Mo(1), three equivalent Cd(1), and one Tl(1) atom.