data_MnNb2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Tl
_chemical_formula_sum   'Mn1 Nb2 Tl1'
_cell_volume   71.09
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.09  0.0  0.57  1.0
  Nb  Nb2  1  0.09  0.0  0.39  1.0
  Tl  Tl3  1  0.0  0.0  0.98  1.0

data_MnNb2Tl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnNb2Tl
_chemical_formula_sum   'Mn1 Nb2 Tl1'
_cell_volume   71.11
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.09  0.0  0.39  1.0
  Nb  Nb2  1  0.09  0.0  0.57  1.0
  Tl  Tl3  1  0.0  0.0  0.98  1.0

Mn Nb Nb Tl
(Nb)2MnTl is alpha Niobium phosphide-like structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one MnTl cluster and one Nb cluster. In the MnTl cluster, Mn(1) is bonded in a single-bond geometry to one Tl(1) atom. The Mn(1)-Tl(1) bond length is 0.16 Å. Tl(1) is bonded in a single-bond geometry to one Mn(1) atom. In the Nb cluster, there are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a single-bond geometry to one Nb(2) atom. The Nb(1)-Nb(2) bond length is 1.44 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Nb(1) atom.