data_Sn2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2TePd
_chemical_formula_sum   'Sn2 Te1 Pd1'
_cell_volume   96.48
_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
  Sn  Sn1  1  0.64  0.64  0.64  1.0
  Sn  Sn2  1  0.82  0.82  0.82  1.0
  Te  Te3  1  0.46  0.46  0.46  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sn2TePd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sn2TePd
_chemical_formula_sum   'Sn6 Te3 Pd3'
_cell_volume   289.44
_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
  Sn  Sn0  3  0.0  0.0  0.18  1.0
  Sn  Sn1  3  0.0  0.0  0.36  1.0
  Te  Te2  3  0.0  0.0  0.54  1.0
  Pd  Pd3  3  0.0  0.0  0.0  1.0

Sn Sn Te Pd
PdSn2Te crystallizes in the trigonal R3m space group. Pd(1) is bonded in a 1-coordinate geometry to one Sn(2) and three equivalent Sn(1) atoms. The Pd(1)-Sn(2) bond length is 2.27 Å. All Pd(1)-Sn(1) bond lengths are 2.99 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent Pd(1), one Sn(2), and one Te(1) atom to form distorted SnSnTePd3 trigonal bipyramids that share corners with six equivalent Sn(1)SnTePd3 trigonal bipyramids and edges with three equivalent Sn(2)SnTe3Pd trigonal bipyramids. The Sn(1)-Sn(2) bond length is 2.27 Å. The Sn(1)-Te(1) bond length is 2.27 Å. In the second Sn site, Sn(2) is bonded to one Pd(1), one Sn(1), and three equivalent Te(1) atoms to form distorted SnSnTe3Pd trigonal bipyramids that share corners with six equivalent Sn(2)SnTe3Pd trigonal bipyramids and edges with three equivalent Sn(1)SnTePd3 trigonal bipyramids. All Sn(2)-Te(1) bond lengths are 2.99 Å. Te(1) is bonded in a 1-coordinate geometry to one Sn(1) and three equivalent Sn(2) atoms.