data_Ta2TlOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2TlOs
_chemical_formula_sum   'Ta2 Tl1 Os1'
_cell_volume   74.13
_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  Ta1  1  0.51  0.51  0.73  1.0
  Ta  Ta2  1  0.51  0.51  0.45  1.0
  Tl  Tl3  1  0.0  0.0  0.09  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Ta2TlOs
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Ta2TlOs
_chemical_formula_sum   'Ta2 Tl1 Os1'
_cell_volume   74.13
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.5  0.5  0.45  1.0
  Ta  Ta1  1  0.5  0.5  0.73  1.0
  Tl  Tl2  1  0.0  0.0  0.09  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

Ta Ta Tl Os
Ta2OsTl crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 9-coordinate geometry to one Ta(2), four equivalent Ta(1), and four equivalent Os(1) atoms. The Ta(1)-Ta(2) bond length is 2.33 Å. All Ta(1)-Ta(1) bond lengths are 3.01 Å. There are a spread of Ta(1)-Os(1) bond distances ranging from 3.05-3.08 Å. In the second Ta site, Ta(2) is bonded in a 9-coordinate geometry to one Ta(1), four equivalent Ta(2), and four equivalent Tl(1) atoms. All Ta(2)-Ta(2) bond lengths are 3.01 Å. There are a spread of Ta(2)-Tl(1) bond distances ranging from 3.60-3.63 Å. Os(1) is bonded in a single-bond geometry to four equivalent Ta(1) and one Tl(1) atom. The Os(1)-Tl(1) bond length is 0.72 Å. Tl(1) is bonded in a single-bond geometry to four equivalent Ta(2) and one Os(1) atom.