data_Ba2SnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   123.67
_cell_angle_beta   123.67
_cell_angle_gamma   83.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnMo
_chemical_formula_sum   'Ba2 Sn1 Mo1'
_cell_volume   123.54
_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  0.0  0.0  0.25  1.0
  Ba  Ba1  1  0.0  0.7  0.13  1.0
  Sn  Sn3  1  0.7  0.0  0.13  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Ba2SnMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.71
_cell_angle_alpha   118.16
_cell_angle_beta   118.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SnMo
_chemical_formula_sum   'Ba2 Sn1 Mo1'
_cell_volume   123.54
_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  0.25  0.25  0.25  1.0
  Ba  Ba1  1  0.43  0.13  0.43  1.0
  Sn  Sn2  1  0.13  0.43  0.43  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ba Ba Sn Mo
Ba Ba Sn Mo 0 2 - o o 0 1 o - o 0 3 o o o 
Ba2MoSn is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2MoSn cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted water-like geometry to one Ba(2), one Mo(1), and one Sn(1) atom. The Ba(1)-Ba(2) bond length is 1.47 Å. The Ba(1)-Mo(1) bond length is 1.44 Å. The Ba(1)-Sn(1) bond length is 1.47 Å. In the second Ba site, Ba(2) is bonded in a 1-coordinate geometry to one Ba(1) atom. Mo(1) is bonded in a single-bond geometry to one Ba(1) atom. Sn(1) is bonded in a single-bond geometry to one Ba(1) atom.