data_TaSnOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSnOs2
_chemical_formula_sum   'Ta1 Sn1 Os2'
_cell_volume   66.62
_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
  Ta  Ta3  1  0.06  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.53  0.25  0.56  1.0
  Os  Os1  1  0.53  0.75  0.56  1.0

data_TaSnOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.64
_cell_length_c   4.64
_cell_angle_alpha   97.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSnOs2
_chemical_formula_sum   'Ta1 Sn1 Os2'
_cell_volume   66.62
_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
  Ta  Ta0  1  0.0  0.06  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.56  0.53  0.25  1.0
  Os  Os3  1  0.56  0.53  0.75  1.0

Ta Sn Os Os
TaOs2Sn crystallizes in the triclinic P1 space group. Ta(1) is bonded in a single-bond geometry to two equivalent Os(1), two equivalent Os(2), and one Sn(1) atom. There is one shorter (2.72 Å) and one longer (2.92 Å) Ta(1)-Os(1) bond length. There is one shorter (2.96 Å) and one longer (3.15 Å) Ta(1)-Os(2) bond length. The Ta(1)-Sn(1) bond length is 0.27 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Os(1), two equivalent Os(2), and two equivalent Sn(1) atoms. Both Os(1)-Os(1) bond lengths are 3.12 Å. There is one shorter (2.28 Å) and one longer (2.36 Å) Os(1)-Os(2) bond length. There is one shorter (2.96 Å) and one longer (3.15 Å) Os(1)-Sn(1) bond length. In the second Os site, Os(2) is bonded in a 8-coordinate geometry to two equivalent Ta(1), two equivalent Os(1), two equivalent Os(2), and two equivalent Sn(1) atoms. Both Os(2)-Os(2) bond lengths are 3.12 Å. There is one shorter (2.72 Å) and one longer (2.92 Å) Os(2)-Sn(1) bond length. Sn(1) is bonded in a single-bond geometry to one Ta(1), two equivalent Os(1), and two equivalent Os(2) atoms.