data_BaSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2
_chemical_formula_sum   'Ba1 Sn2'
_cell_volume   110.4
_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  0.0  1.0
  Sn  Sn1  1  0.37  0.37  0.42  1.0
  Sn  Sn2  1  0.0  0.74  0.24  1.0

data_BaSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSn2
_chemical_formula_sum   'Ba1 Sn2'
_cell_volume   110.4
_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  0.0  1.0
  Sn  Sn1  1  0.0  0.74  0.24  1.0
  Sn  Sn2  1  0.37  0.37  0.42  1.0

Ba Sn Sn
BaSn2 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a distorted single-bond geometry to one Sn(2) and two equivalent Sn(1) atoms. The Ba(1)-Sn(2) bond length is 1.83 Å. There is one shorter (2.94 Å) and one longer (3.75 Å) Ba(1)-Sn(1) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1) and three equivalent Sn(2) atoms. There are a spread of Sn(1)-Sn(2) bond distances ranging from 2.77-3.22 Å. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one Ba(1) and three equivalent Sn(1) atoms.