data_NaTa2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   5.07
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   99.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Pd
_chemical_formula_sum   'Na1 Ta2 Pd1'
_cell_volume   72.1
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.07  0.54  0.82  1.0
  Ta  Ta3  1  0.85  0.54  0.32  1.0
  Pd  Pd1  1  0.96  0.0  0.57  1.0

data_NaTa2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.07
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   99.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2Pd
_chemical_formula_sum   'Na1 Ta2 Pd1'
_cell_volume   72.1
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.07  0.54  0.82  1.0
  Ta  Ta2  1  0.85  0.54  0.32  1.0
  Pd  Pd3  1  0.96  0.0  0.57  1.0

Na Ta Ta Pd
Na Ta Ta Pd 0 2 - - o 0 2 - o o 0 3 - o - 0 3 - o o 0 0 + o o 0 1 o - - 0 1 o o - 1 3 - o o 1 3 - + o 1 2 - o o 1 2 - o + 1 2 o o + 1 1 + o o 2 2 + o o 2 3 o o o 2 3 o + o 3 3 + o o 
NaTa2Pd crystallizes in the triclinic P1 space group. Na(1) is bonded in a 1-coordinate geometry to two equivalent Ta(1), two equivalent Ta(2), and one Pd(1) atom. There is one shorter (2.55 Å) and one longer (2.89 Å) Na(1)-Ta(1) bond length. There is one shorter (2.96 Å) and one longer (3.26 Å) Na(1)-Ta(2) bond length. The Na(1)-Pd(1) bond length is 2.22 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Ta(1), two equivalent Ta(2), and two equivalent Pd(1) atoms. Both Ta(1)-Ta(1) bond lengths are 2.76 Å. There is one shorter (2.56 Å) and one longer (2.79 Å) Ta(1)-Ta(2) bond length. There is one shorter (2.68 Å) and one longer (3.01 Å) Ta(1)-Pd(1) bond length. In the second Ta site, Ta(2) is bonded in a 8-coordinate geometry to two equivalent Na(1), two equivalent Ta(1), two equivalent Ta(2), and two equivalent Pd(1) atoms. Both Ta(2)-Ta(2) bond lengths are 2.76 Å. There is one shorter (2.68 Å) and one longer (3.01 Å) Ta(2)-Pd(1) bond length. Pd(1) is bonded in a 1-coordinate geometry to one Na(1), two equivalent Ta(1), and two equivalent Ta(2) atoms.