data_NaMg2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97
_cell_length_b   9.97
_cell_length_c   9.97
_cell_angle_alpha   18.51
_cell_angle_beta   18.51
_cell_angle_gamma   18.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Pd
_chemical_formula_sum   'Na1 Mg2 Pd1'
_cell_volume   87.31
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Mg  Mg0  1  0.0  0.0  0.86  1.0
  Mg  Mg1  1  0.0  0.0  0.53  1.0
  Pd  Pd3  1  0.0  0.0  0.7  1.0

data_NaMg2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   100.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMg2Pd
_chemical_formula_sum   'Na2 Mg4 Pd2'
_cell_volume   174.63
_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
  Mg  Mg1  2  -0.0  0.0  0.47  1.0
  Mg  Mg2  2  0.0  0.0  0.14  1.0
  Pd  Pd3  2  0.0  0.0  0.3  1.0

Na Mg Mg Pd
Na Mg Mg Pd 0 1 o o - 1 3 o o o 2 3 o o o 
NaMg2Pd is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaMg2Pd clusters. Na(1) is bonded in a single-bond geometry to one Mg(1) atom. The Na(1)-Mg(1) bond length is 1.38 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a linear geometry to one Na(1) and one Pd(1) atom. The Mg(1)-Pd(1) bond length is 1.63 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Pd(1) atom. The Mg(2)-Pd(1) bond length is 1.63 Å. Pd(1) is bonded in a linear geometry to one Mg(1) and one Mg(2) atom.