data_TaAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   135.14
_cell_angle_beta   135.14
_cell_angle_gamma   65.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsOs2
_chemical_formula_sum   'Ta1 As1 Os2'
_cell_volume   61.9
_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  0.0  0.91  0.11  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.91  0.0  0.11  1.0
  Os  Os2  1  0.0  0.0  0.22  1.0

data_TaAsOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   5.02
_cell_angle_alpha   112.43
_cell_angle_beta   112.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAsOs2
_chemical_formula_sum   'Ta1 As1 Os2'
_cell_volume   61.9
_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  0.8  0.91  0.8  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.78  0.0  0.78  1.0
  Os  Os3  1  0.89  0.0  0.8  1.0

Ta As Os Os
TaOs2As crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TaOs2As cluster. Ta(1) is bonded in a 3-coordinate geometry to one Os(1), one Os(2), and one As(1) atom. The Ta(1)-Os(1) bond length is 0.46 Å. The Ta(1)-Os(2) bond length is 0.40 Å. The Ta(1)-As(1) bond length is 0.92 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 1-coordinate geometry to one Ta(1) and one As(1) atom. The Os(1)-As(1) bond length is 0.92 Å. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Ta(1) atom. As(1) is bonded in a 2-coordinate geometry to one Ta(1) and one Os(1) atom.