data_BaSnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   5.14
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   95.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnMo2
_chemical_formula_sum   'Ba1 Sn1 Mo2'
_cell_volume   112.0
_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
  Ba  Ba0  1  0.4  0.0  0.21  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.23  0.57  0.57  1.0
  Mo  Mo2  1  0.58  0.57  0.85  1.0

data_BaSnMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.14
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   95.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSnMo2
_chemical_formula_sum   'Ba1 Sn1 Mo2'
_cell_volume   112.0
_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
  Ba  Ba0  1  0.4  0.0  0.21  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.23  0.57  0.57  1.0
  Mo  Mo3  1  0.58  0.57  0.85  1.0

Ba Sn Mo Mo
BaMo2Sn crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 1-coordinate geometry to two equivalent Mo(1) and two equivalent Sn(1) atoms. There is one shorter (3.29 Å) and one longer (3.81 Å) Ba(1)-Mo(1) bond length. There is one shorter (1.83 Å) and one longer (2.53 Å) Ba(1)-Sn(1) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Mo(2) atom. The Mo(1)-Mo(2) bond length is 2.10 Å. In the second Mo site, Mo(2) is bonded in a 2-coordinate geometry to one Mo(1) and one Sn(1) atom. The Mo(2)-Sn(1) bond length is 2.75 Å. Sn(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and one Mo(2) atom.