data_TaMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   8.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMo2Pd
_chemical_formula_sum   'Ta1 Mo2 Pd1'
_cell_volume   65.01
_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  0.5  1.0
  Mo  Mo0  1  0.66  0.0  0.8  1.0
  Mo  Mo1  1  0.66  0.0  0.19  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_TaMo2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.74
_cell_length_b   8.99
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TaMo2Pd
_chemical_formula_sum   'Ta1 Mo2 Pd1'
_cell_volume   65.01
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.5  0.0  1.0
  Mo  Mo1  2  0.66  0.19  0.0  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

Ta Mo Mo Pd
Ta Mo Mo Pd 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o o 0 2 o o o 0 1 - o o 0 1 o o o 1 3 + o + 2 3 + o o 
TaMo2Pd 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 2.74 Å. There is one shorter (2.90 Å) and one longer (3.29 Å) Ta(1)-Mo(1) bond length. There is one shorter (2.90 Å) and one longer (3.29 Å) Ta(1)-Mo(2) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 2-coordinate geometry to two equivalent Ta(1) and one Pd(1) atom. The Mo(1)-Pd(1) bond length is 2.02 Å. In the second Mo site, Mo(2) is bonded in a 1-coordinate geometry to two equivalent Ta(1) and one Pd(1) atom. The Mo(2)-Pd(1) bond length is 1.95 Å. Pd(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Mo(2) atom.