data_Mn2NbNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbNi
_chemical_formula_sum   'Mn2 Nb1 Ni1'
_cell_volume   55.84
_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  0.41  0.41  0.53  1.0
  Mn  Mn1  1  0.41  0.41  0.48  1.0
  Nb  Nb2  1  0.0  0.0  0.51  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Mn2NbNi
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.01
_cell_length_b   3.99
_cell_length_c   3.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Mn2NbNi
_chemical_formula_sum   'Mn4 Nb2 Ni2'
_cell_volume   111.68
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.48  0.0  0.41  1.0
  Nb  Nb1  2  0.5  0.0  0.0  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

Mn Mn Nb Ni
NbMn2Ni crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a 10-coordinate geometry to four equivalent Mn(1), four equivalent Mn(2), and two equivalent Ni(1) atoms. There are a spread of Nb(1)-Mn(1) bond distances ranging from 1.65-2.36 Å. There are a spread of Nb(1)-Mn(2) bond distances ranging from 1.65-2.36 Å. There is one shorter (3.46 Å) and one longer (3.55 Å) Nb(1)-Ni(1) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to four equivalent Nb(1) and one Mn(2) atom. The Mn(1)-Mn(2) bond length is 0.33 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to four equivalent Nb(1) and one Mn(1) atom. Ni(1) is bonded to two equivalent Nb(1) and four equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing NiNb2Ni4 octahedra. The corner-sharing octahedra are not tilted. All Ni(1)-Ni(1) bond lengths are 2.82 Å.