data_Ta3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Os
_chemical_formula_sum   'Ta6 Os2'
_cell_volume   137.84
_cell_formula_units_Z   2
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  Ta2  1  0.58  0.87  0.0  1.0
  Ta  Ta3  1  0.58  0.29  0.0  1.0
  Ta  Ta4  1  0.87  0.0  0.58  1.0
  Ta  Ta5  1  0.0  0.58  0.87  1.0
  Ta  Ta6  1  0.0  0.58  0.29  1.0
  Ta  Ta7  1  0.29  0.0  0.58  1.0
  Os  Os0  1  0.58  0.58  0.58  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0

data_Ta3Os
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Ta3Os
_chemical_formula_sum   'Ta18 Os6'
_cell_volume   413.52
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.0  0.71  0.29  1.0
  Ta  Ta1  9  0.06  0.24  0.82  1.0
  Os  Os2  3  0.0  0.0  0.0  1.0
  Os  Os3  3  0.0  0.0  0.58  1.0

Ta Ta Ta Ta Ta Ta Os Os
Ta3Os crystallizes in the trigonal R3 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 1-coordinate geometry to one Ta(2), one Os(1), and one Os(2) atom. The Ta(1)-Ta(2) bond length is 2.15 Å. The Ta(1)-Os(1) bond length is 2.63 Å. The Ta(1)-Os(2) bond length is 2.25 Å. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Ta(1), one Os(1), and one Os(2) atom. The Ta(2)-Os(1) bond length is 2.63 Å. The Ta(2)-Os(2) bond length is 2.63 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 6-coordinate geometry to three equivalent Ta(1) and three equivalent Ta(2) atoms. In the second Os site, Os(2) is bonded in a 3-coordinate geometry to three equivalent Ta(1) and three equivalent Ta(2) atoms.