data_MnNb2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   142.02
_cell_angle_beta   130.32
_cell_angle_gamma   64.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Sn
_chemical_formula_sum   'Mn1 Nb2 Sn1'
_cell_volume   68.43
_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  0.0  0.22  0.37  1.0
  Nb  Nb2  1  0.72  0.0  0.1  1.0
  Sn  Sn3  1  0.0  0.0  0.48  1.0

data_MnNb2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.44
_cell_length_c   5.29
_cell_angle_alpha   114.84
_cell_angle_beta   108.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Sn
_chemical_formula_sum   'Mn1 Nb2 Sn1'
_cell_volume   68.43
_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  0.0  0.1  0.38  1.0
  Nb  Nb2  1  0.78  0.15  0.15  1.0
  Sn  Sn3  1  0.0  0.48  0.48  1.0

Mn Nb Nb Sn
Nb2MnSn crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to one Nb(2), two equivalent Mn(1), and one Sn(1) atom. The Nb(1)-Nb(2) bond length is 1.32 Å. There is one shorter (1.28 Å) and one longer (2.54 Å) Nb(1)-Mn(1) bond length. The Nb(1)-Sn(1) bond length is 1.64 Å. In the second Nb site, Nb(2) is bonded in a 2-coordinate geometry to one Nb(1) and two equivalent Sn(1) atoms. There is one shorter (1.52 Å) and one longer (3.02 Å) Nb(2)-Sn(1) bond length. Mn(1) is bonded in a 1-coordinate geometry to two equivalent Nb(1) and one Sn(1) atom. The Mn(1)-Sn(1) bond length is 2.76 Å. Sn(1) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Nb(2), and one Mn(1) atom.