data_MnNb2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.45
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2In
_chemical_formula_sum   'Mn1 Nb2 In1'
_cell_volume   70.4
_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  Mn1  1  0.17  0.0  0.36  1.0
  Nb  Nb2  1  0.17  0.22  0.2  1.0
  Nb  Nb3  1  0.01  0.0  0.2  1.0
  In  In0  1  0.64  0.22  0.67  1.0

data_MnNb2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.45
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2In
_chemical_formula_sum   'Mn1 Nb2 In1'
_cell_volume   70.4
_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  0.17  0.0  0.36  1.0
  Nb  Nb1  1  0.01  0.0  0.2  1.0
  Nb  Nb2  1  0.17  0.22  0.2  1.0
  In  In3  1  0.64  0.22  0.67  1.0

Mn Nb Nb In
Mn Nb Nb In 0 2 o o o 0 1 o o o 0 3 o o o 0 3 - o o 1 2 o o o 1 3 o o o 1 3 - o - 2 3 o o o 2 3 - o - 3 3 + o o 
Nb2MnIn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Nb2MnIn cluster. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 2-coordinate geometry to one Nb(2) and one Mn(1) atom. The Nb(1)-Nb(2) bond length is 1.11 Å. The Nb(1)-Mn(1) bond length is 1.33 Å. In the second Nb site, Nb(2) is bonded in a distorted L-shaped geometry to one Nb(1) and one Mn(1) atom. The Nb(2)-Mn(1) bond length is 0.93 Å. Mn(1) is bonded in a 1-coordinate geometry to one Nb(1), one Nb(2), and one In(1) atom. The Mn(1)-In(1) bond length is 2.22 Å. In(1) is bonded in a 1-coordinate geometry to one Mn(1) atom.