data_Ba2TaSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TaSn
_chemical_formula_sum   'Ba2 Ta1 Sn1'
_cell_volume   124.85
_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  0.43  0.0  0.65  1.0
  Ba  Ba1  1  0.0  0.43  0.65  1.0
  Ta  Ta3  1  0.43  0.43  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0

data_Ba2TaSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2TaSn
_chemical_formula_sum   'Ba4 Ta2 Sn2'
_cell_volume   249.7
_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
  Ba  Ba0  4  0.21  0.21  0.65  1.0
  Ta  Ta1  2  0.43  0.0  -0.0  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0

Ba Ba Ta Sn
Ba2TaSn crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and three equivalent Sn(1) atoms. There is one shorter (2.77 Å) and one longer (3.34 Å) Ba(1)-Ta(1) bond length. There are a spread of Ba(1)-Sn(1) bond distances ranging from 2.77-4.03 Å. Ta(1) is bonded in a 7-coordinate geometry to four equivalent Ba(1) and three equivalent Sn(1) atoms. There is one shorter (2.92 Å) and two longer (3.47 Å) Ta(1)-Sn(1) bond lengths. Sn(1) is bonded in a 9-coordinate geometry to six equivalent Ba(1) and three equivalent Ta(1) atoms.