data_Sn2MoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2MoSe
_chemical_formula_sum   'Sn2 Mo1 Se1'
_cell_volume   85.44
_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
  Sn  Sn2  1  0.0  0.56  0.63  1.0
  Sn  Sn3  1  0.56  0.0  0.63  1.0
  Mo  Mo0  1  0.56  0.56  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Sn2MoSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2MoSe
_chemical_formula_sum   'Sn4 Mo2 Se2'
_cell_volume   170.88
_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
  Sn  Sn0  4  0.28  0.28  0.63  1.0
  Mo  Mo1  2  0.06  0.5  0.0  1.0
  Se  Se2  2  0.0  0.0  0.0  1.0

Sn Sn Mo Se
MoSn2Se crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 2-coordinate geometry to six equivalent Sn(1) atoms. There are a spread of Mo(1)-Sn(1) bond distances ranging from 2.56-3.08 Å. Sn(1) is bonded in a 6-coordinate geometry to three equivalent Mo(1) and three equivalent Se(1) atoms. There are a spread of Sn(1)-Se(1) bond distances ranging from 2.56-3.08 Å. Se(1) is bonded in a 6-coordinate geometry to six equivalent Sn(1) atoms.