data_Sc2SiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   121.07
_cell_angle_beta   121.07
_cell_angle_gamma   88.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SiMo
_chemical_formula_sum   'Sc2 Si1 Mo1'
_cell_volume   70.41
_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  Sc1  1  0.0  0.29  0.67  1.0
  Sc  Sc2  1  0.29  0.0  0.67  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.35  1.0

data_Sc2SiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   134.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2SiMo
_chemical_formula_sum   'Sc4 Si2 Mo2'
_cell_volume   140.81
_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  4  0.35  0.35  0.38  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.35  1.0

Sc Sc Si Mo
Sc2MoSi crystallizes in the monoclinic Cm space group. Sc(1) is bonded in a distorted single-bond geometry to one Mo(1) and two equivalent Si(1) atoms. The Sc(1)-Mo(1) bond length is 1.42 Å. There is one shorter (2.51 Å) and one longer (2.83 Å) Sc(1)-Si(1) bond length. Mo(1) is bonded in a 3-coordinate geometry to two equivalent Sc(1) and one Si(1) atom. The Mo(1)-Si(1) bond length is 1.62 Å. Si(1) is bonded in a distorted single-bond geometry to four equivalent Sc(1) and one Mo(1) atom.