data_Si2SnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SnMo
_chemical_formula_sum   'Si2 Sn1 Mo1'
_cell_volume   71.06
_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
  Si  Si1  1  0.61  0.61  0.26  1.0
  Si  Si2  1  0.61  0.61  0.61  1.0
  Sn  Sn3  1  0.0  0.0  0.44  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Si2SnMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2SnMo
_chemical_formula_sum   'Si4 Sn2 Mo2'
_cell_volume   142.12
_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
  Si  Si0  2  0.11  0.5  0.26  1.0
  Si  Si1  2  0.11  0.5  0.61  1.0
  Sn  Sn2  2  0.0  0.0  0.44  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Si Si Sn Mo
Si Si Sn Mo 0 2 o + o 0 2 + o o 0 2 + + o 0 3 + + o 0 3 + o o 0 3 o + o 0 3 o o o 0 1 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 + + + 2 3 o o o 3 3 + o o 3 3 o + o 
MoSnSi2 crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 1-coordinate geometry to one Si(2) and four equivalent Si(1) atoms. The Mo(1)-Si(2) bond length is 3.23 Å. There are a spread of Mo(1)-Si(1) bond distances ranging from 2.54-3.30 Å. Sn(1) is bonded in a 2-coordinate geometry to four equivalent Si(1) and four equivalent Si(2) atoms. There are a spread of Sn(1)-Si(1) bond distances ranging from 2.14-3.01 Å. There are a spread of Sn(1)-Si(2) bond distances ranging from 2.14-3.01 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1), four equivalent Sn(1), and one Si(2) atom. The Si(1)-Si(2) bond length is 2.38 Å. In the second Si site, Si(2) is bonded in a 6-coordinate geometry to one Mo(1), four equivalent Sn(1), and one Si(1) atom.