data_TaMo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2Os
_chemical_formula_sum   'Ta1 Mo2 Os1'
_cell_volume   64.31
_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  0.0  0.0  1.0
  Mo  Mo0  1  0.58  0.0  0.31  1.0
  Mo  Mo1  1  0.58  0.0  0.68  1.0
  Os  Os2  1  0.0  0.0  0.49  1.0

data_TaMo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2Os
_chemical_formula_sum   'Ta1 Mo2 Os1'
_cell_volume   64.31
_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  0.0  0.0  1.0
  Mo  Mo1  1  0.58  0.0  0.31  1.0
  Mo  Mo2  1  0.58  0.0  0.68  1.0
  Os  Os3  1  0.0  0.0  0.49  1.0

Ta Mo Mo Os
Ta Mo Mo Os 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o - 0 2 o o - 0 1 - o o 0 1 o o o 1 3 o o o 1 3 + o o 2 3 o o o 2 3 + o o 
TaMo2Os crystallizes in the triclinic P1 space group. Ta(1) is bonded in a 8-coordinate geometry to four equivalent Ta(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. All Ta(1)-Ta(1) bond lengths are 2.76 Å. There is one shorter (3.00 Å) and one longer (3.20 Å) Ta(1)-Mo(1) bond length. There is one shorter (3.13 Å) and one longer (3.32 Å) Ta(1)-Mo(2) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and two equivalent Os(1) atoms. There is one shorter (2.02 Å) and one longer (2.30 Å) Mo(1)-Os(1) bond length. In the second Mo site, Mo(2) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and two equivalent Os(1) atoms. There is one shorter (2.02 Å) and one longer (2.30 Å) Mo(2)-Os(1) bond length. Os(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms.