data_NaCrPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrPd2
_chemical_formula_sum   'Na1 Cr1 Pd2'
_cell_volume   63.43
_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  Na1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.05  1.0
  Pd  Pd2  1  0.4  0.4  0.33  1.0
  Pd  Pd3  1  0.4  0.4  0.76  1.0

data_NaCrPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCrPd2
_chemical_formula_sum   'Na2 Cr2 Pd4'
_cell_volume   126.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.05  1.0
  Pd  Pd2  2  0.4  0.0  0.33  1.0
  Pd  Pd3  2  0.4  0.0  0.76  1.0

Na Cr Pd Pd
Na Cr Pd Pd 0 1 o o o 0 2 o o o 0 2 o - o 0 2 - o o 0 3 o o - 0 3 o - - 0 3 - o - 0 3 - - - 1 2 o o o 1 2 o - o 1 2 - o o 1 2 - - o 1 3 o o - 1 3 o - - 1 3 - o - 2 2 + o o 2 2 o + o 3 3 + o o 3 3 o + o 
NaCrPd2 crystallizes in the monoclinic Cm space group. Na(1) is bonded in a single-bond geometry to one Cr(1) and three equivalent Pd(2) atoms. The Na(1)-Cr(1) bond length is 0.38 Å. There is one shorter (2.50 Å) and two longer (2.80 Å) Na(1)-Pd(2) bond lengths. Cr(1) is bonded in a single-bond geometry to one Na(1) and four equivalent Pd(1) atoms. There are a spread of Cr(1)-Pd(1) bond distances ranging from 2.81-3.32 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to four equivalent Cr(1), one Pd(2), and four equivalent Pd(1) atoms. The Pd(1)-Pd(2) bond length is 3.46 Å. All Pd(1)-Pd(1) bond lengths are 2.80 Å. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to three equivalent Na(1) and one Pd(1) atom.