data_NaCd2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Sn
_chemical_formula_sum   'Na1 Cd2 Sn1'
_cell_volume   98.43
_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  Na2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.66  0.66  0.66  1.0
  Cd  Cd1  1  0.5  0.5  0.5  1.0
  Sn  Sn3  1  0.83  0.83  0.83  1.0

data_NaCd2Sn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   12.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaCd2Sn
_chemical_formula_sum   'Na3 Cd6 Sn3'
_cell_volume   295.28
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Cd  Cd1  3  0.0  0.0  0.34  1.0
  Cd  Cd2  3  0.0  0.0  0.5  1.0
  Sn  Sn3  3  0.0  0.0  0.17  1.0

Na Cd Cd Sn
NaCd2Sn crystallizes in the trigonal R3m space group. Na(1) is bonded in a distorted single-bond geometry to three equivalent Cd(1), three equivalent Cd(2), and one Sn(1) atom. All Na(1)-Cd(1) bond lengths are 2.99 Å. All Na(1)-Cd(2) bond lengths are 3.64 Å. The Na(1)-Sn(1) bond length is 2.13 Å. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to three equivalent Na(1), one Cd(2), and one Sn(1) atom to form distorted corner-sharing CdNa3CdSn trigonal bipyramids. The Cd(1)-Cd(2) bond length is 2.13 Å. The Cd(1)-Sn(1) bond length is 2.13 Å. In the second Cd site, Cd(2) is bonded in a 7-coordinate geometry to three equivalent Na(1), one Cd(1), and three equivalent Sn(1) atoms. All Cd(2)-Sn(1) bond lengths are 2.99 Å. Sn(1) is bonded in a distorted linear geometry to one Na(1), one Cd(1), and three equivalent Cd(2) atoms.