data_Mn2NbBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbBi
_chemical_formula_sum   'Mn2 Nb1 Bi1'
_cell_volume   63.54
_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  0.6  0.6  0.77  1.0
  Mn  Mn2  1  0.6  0.6  0.43  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.1  1.0

data_Mn2NbBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   6.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2NbBi
_chemical_formula_sum   'Mn4 Nb2 Bi2'
_cell_volume   127.08
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.1  0.5  0.43  1.0
  Mn  Mn1  2  0.1  0.5  0.77  1.0
  Nb  Nb2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.1  1.0

Mn Mn Nb Bi
NbMn2Bi crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a single-bond geometry to three equivalent Mn(1) and one Bi(1) atom. There is one shorter (2.31 Å) and two longer (2.72 Å) Nb(1)-Mn(1) bond lengths. The Nb(1)-Bi(1) bond length is 0.60 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to three equivalent Nb(1) and one Mn(2) atom. The Mn(1)-Mn(2) bond length is 2.11 Å. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to one Mn(1), four equivalent Mn(2), and four equivalent Bi(1) atoms. All Mn(2)-Mn(2) bond lengths are 3.20 Å. There are a spread of Mn(2)-Bi(1) bond distances ranging from 2.72-3.40 Å. Bi(1) is bonded in a single-bond geometry to one Nb(1) and four equivalent Mn(2) atoms.