data_LaTl2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   130.27
_cell_angle_beta   130.27
_cell_angle_gamma   72.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTl2Mo
_chemical_formula_sum   'La1 Tl2 Mo1'
_cell_volume   97.61
_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
  La  La0  1  0.0  0.0  0.47  1.0
  Tl  Tl2  1  0.34  0.0  0.23  1.0
  Tl  Tl3  1  0.0  0.34  0.23  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_LaTl2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   126.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTl2Mo
_chemical_formula_sum   'La2 Tl4 Mo2'
_cell_volume   195.22
_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
  La  La0  2  0.0  0.0  0.47  1.0
  Tl  Tl1  4  0.33  0.33  0.9  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

La Tl Tl Mo
LaMoTl2 crystallizes in the monoclinic Cm space group. La(1) is bonded in a 6-coordinate geometry to two equivalent Mo(1) and four equivalent Tl(1) atoms. There is one shorter (2.60 Å) and one longer (2.95 Å) La(1)-Mo(1) bond length. There are two shorter (2.89 Å) and two longer (3.01 Å) La(1)-Tl(1) bond lengths. Mo(1) is bonded in a distorted water-like geometry to two equivalent La(1) and two equivalent Tl(1) atoms. Both Mo(1)-Tl(1) bond lengths are 1.43 Å. Tl(1) is bonded in a single-bond geometry to two equivalent La(1) and one Mo(1) atom.