data_Mn2NbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.45
_cell_angle_alpha   111.5
_cell_angle_beta   111.5
_cell_angle_gamma   41.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbTe
_chemical_formula_sum   'Mn2 Nb1 Te1'
_cell_volume   65.66
_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  0.42  0.0  0.99  1.0
  Mn  Mn1  1  1.0  0.0  0.1  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.71  0.0  0.05  1.0

data_Mn2NbTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.45
_cell_length_c   4.9
_cell_angle_alpha   111.5
_cell_angle_beta   110.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbTe
_chemical_formula_sum   'Mn2 Nb1 Te1'
_cell_volume   65.66
_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  0.1  1.0  1.0
  Mn  Mn1  1  0.0  0.99  0.42  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.05  0.71  1.0

Mn Mn Nb Te
Mn Mn Nb Te 0 3 o o + 1 2 + o o 1 3 o o o 2 3 - o o 
NbMn2Te crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbMn2Te cluster. Nb(1) is bonded in a single-bond geometry to one Mn(2) atom. The Nb(1)-Mn(2) bond length is 0.47 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Te(1) atom. The Mn(1)-Te(1) bond length is 1.35 Å. In the second Mn site, Mn(2) is bonded in a distorted water-like geometry to one Nb(1) and one Te(1) atom. The Mn(2)-Te(1) bond length is 1.35 Å. Te(1) is bonded in a linear geometry to one Mn(1) and one Mn(2) atom.