data_Sc2NbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbMo
_chemical_formula_sum   'Sc2 Nb1 Mo1'
_cell_volume   79.04
_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
  Sc  Sc2  1  0.42  0.42  0.57  1.0
  Sc  Sc3  1  0.0  0.0  0.7  1.0
  Nb  Nb1  1  0.0  0.0  0.24  1.0
  Mo  Mo0  1  0.42  0.42  0.92  1.0

data_Sc2NbMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   9.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2NbMo
_chemical_formula_sum   'Sc4 Nb2 Mo2'
_cell_volume   158.08
_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
  Sc  Sc0  2  0.0  0.0  0.7  1.0
  Sc  Sc1  2  0.42  0.0  0.57  1.0
  Nb  Nb2  2  0.0  0.0  0.24  1.0
  Mo  Mo3  2  0.42  0.0  0.92  1.0

Sc Sc Nb Mo
Sc2NbMo crystallizes in the monoclinic Cm space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 3-coordinate geometry to four equivalent Sc(2) and four equivalent Nb(1) atoms. There are a spread of Sc(1)-Sc(2) bond distances ranging from 2.11-2.64 Å. There are a spread of Sc(1)-Nb(1) bond distances ranging from 3.64-3.97 Å. In the second Sc site, Sc(2) is bonded in a 12-coordinate geometry to four equivalent Sc(1), four equivalent Sc(2), and four equivalent Mo(1) atoms. All Sc(2)-Sc(2) bond lengths are 2.84 Å. There are a spread of Sc(2)-Mo(1) bond distances ranging from 2.76-3.18 Å. Nb(1) is bonded in a 12-coordinate geometry to four equivalent Sc(1), four equivalent Nb(1), and four equivalent Mo(1) atoms. All Nb(1)-Nb(1) bond lengths are 2.84 Å. There are a spread of Nb(1)-Mo(1) bond distances ranging from 3.56-3.90 Å. Mo(1) is bonded in a 3-coordinate geometry to four equivalent Sc(2) and four equivalent Nb(1) atoms.