data_MnNbIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.86
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbIn2
_chemical_formula_sum   'Mn1 Nb1 In2'
_cell_volume   76.92
_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  Mn2  1  0.16  0.0  0.48  1.0
  Nb  Nb3  1  0.09  0.43  0.07  1.0
  In  In0  1  0.63  0.0  0.92  1.0
  In  In1  1  0.63  0.43  0.56  1.0

data_MnNbIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.86
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbIn2
_chemical_formula_sum   'Mn1 Nb1 In2'
_cell_volume   76.92
_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  0.16  0.0  0.48  1.0
  Nb  Nb1  1  0.09  0.43  0.07  1.0
  In  In2  1  0.63  0.0  0.92  1.0
  In  In3  1  0.63  0.43  0.56  1.0

Mn Nb In In
NbMnIn2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 12-coordinate geometry to two equivalent Nb(1), two equivalent Mn(1), four equivalent In(1), and four equivalent In(2) atoms. Both Nb(1)-Nb(1) bond lengths are 3.04 Å. There is one shorter (2.99 Å) and one longer (3.50 Å) Nb(1)-Mn(1) bond length. There are a spread of Nb(1)-In(1) bond distances ranging from 2.63-3.32 Å. There are a spread of Nb(1)-In(2) bond distances ranging from 2.92-3.13 Å. Mn(1) is bonded in a 12-coordinate geometry to two equivalent Nb(1), two equivalent Mn(1), four equivalent In(1), and four equivalent In(2) atoms. Both Mn(1)-Mn(1) bond lengths are 3.04 Å. There are a spread of Mn(1)-In(1) bond distances ranging from 2.70-3.32 Å. There are a spread of Mn(1)-In(2) bond distances ranging from 2.57-3.24 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to four equivalent Nb(1), four equivalent Mn(1), two equivalent In(1), and two equivalent In(2) atoms. Both In(1)-In(1) bond lengths are 3.04 Å. There is one shorter (2.80 Å) and one longer (3.34 Å) In(1)-In(2) bond length. In the second In site, In(2) is bonded in a 12-coordinate geometry to four equivalent Nb(1), four equivalent Mn(1), two equivalent In(1), and two equivalent In(2) atoms. Both In(2)-In(2) bond lengths are 3.04 Å.