data_SrNbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   124.65
_cell_angle_beta   116.7
_cell_angle_gamma   88.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbPd2
_chemical_formula_sum   'Sr1 Nb1 Pd2'
_cell_volume   83.97
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.0  0.0  0.53  1.0
  Pd  Pd1  1  0.0  0.59  0.55  1.0
  Pd  Pd2  1  0.3  0.0  0.98  1.0

data_SrNbPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   63.3
_cell_angle_beta   62.33
_cell_angle_gamma   62.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbPd2
_chemical_formula_sum   'Sr1 Nb1 Pd2'
_cell_volume   83.97
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.53  0.0  0.47  1.0
  Pd  Pd2  1  0.55  0.0  0.05  1.0
  Pd  Pd3  1  0.68  0.3  0.02  1.0

Sr Nb Pd Pd
Sr Nb Pd Pd 0 3 o o - 0 1 o o - 0 2 o - - 1 2 o - o 1 3 o o o 2 3 o + o 
SrNbPd2 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a distorted single-bond geometry to two equivalent Nb(1), one Pd(2), and two equivalent Pd(1) atoms. There is one shorter (2.34 Å) and one longer (2.60 Å) Sr(1)-Nb(1) bond length. The Sr(1)-Pd(2) bond length is 1.51 Å. There is one shorter (1.98 Å) and one longer (2.63 Å) Sr(1)-Pd(1) bond length. Nb(1) is bonded to two equivalent Sr(1), two equivalent Pd(1), and two equivalent Pd(2) atoms to form distorted corner-sharing NbSr2Pd4 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. There is one shorter (2.07 Å) and one longer (2.87 Å) Nb(1)-Pd(1) bond length. There is one shorter (2.05 Å) and one longer (3.31 Å) Nb(1)-Pd(2) bond length. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Nb(1), and one Pd(2) atom. The Pd(1)-Pd(2) bond length is 1.77 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one Sr(1), two equivalent Nb(1), and one Pd(1) atom.