data_MgSnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.68
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   98.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnMo2
_chemical_formula_sum   'Mg1 Sn1 Mo2'
_cell_volume   72.53
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.05  0.0  0.69  1.0
  Mo  Mo1  1  0.81  0.34  0.21  1.0
  Mo  Mo2  1  0.29  0.34  0.16  1.0

data_MgSnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.68
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   98.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSnMo2
_chemical_formula_sum   'Mg1 Sn1 Mo2'
_cell_volume   72.53
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.05  0.0  0.69  1.0
  Mo  Mo2  1  0.29  0.34  0.16  1.0
  Mo  Mo3  1  0.81  0.34  0.21  1.0

Mg Sn Mo Mo
MgMo2Sn crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 3-coordinate geometry to one Mo(2), two equivalent Mo(1), and one Sn(1) atom. The Mg(1)-Mo(2) bond length is 1.94 Å. There is one shorter (2.08 Å) and one longer (3.36 Å) Mg(1)-Mo(1) bond length. The Mg(1)-Sn(1) bond length is 1.73 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent Mo(2), and one Sn(1) atom. There is one shorter (1.43 Å) and one longer (1.50 Å) Mo(1)-Mo(2) bond length. The Mo(1)-Sn(1) bond length is 3.03 Å. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Mo(1) atoms. Sn(1) is bonded in a single-bond geometry to one Mg(1) and one Mo(1) atom.