data_InAsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAsPd
_chemical_formula_sum   'In1 As1 Pd1'
_cell_volume   66.12
_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
  In  In1  1  0.6  0.6  0.6  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.21  0.21  0.21  1.0

data_InAsPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InAsPd
_chemical_formula_sum   'In3 As3 Pd3'
_cell_volume   198.36
_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
  In  In0  3  0.0  0.0  0.4  1.0
  As  As1  3  0.0  0.0  -0.0  1.0
  Pd  Pd2  3  0.0  0.0  0.79  1.0

In As Pd
PdInAs crystallizes in the trigonal R3m space group. Pd(1) is bonded to three equivalent In(1) and four equivalent As(1) atoms to form distorted PdIn3As4 tetrahedra that share corners with three equivalent As(1)In3Pd4 tetrahedra, corners with six equivalent Pd(1)In3As4 tetrahedra, edges with three equivalent As(1)In3Pd4 tetrahedra, and edges with six equivalent Pd(1)In3As4 tetrahedra. All Pd(1)-In(1) bond lengths are 2.71 Å. There is one shorter (2.33 Å) and three longer (2.96 Å) Pd(1)-As(1) bond lengths. In(1) is bonded in a distorted hexagonal planar geometry to three equivalent Pd(1) and three equivalent As(1) atoms. All In(1)-As(1) bond lengths are 2.71 Å. As(1) is bonded to four equivalent Pd(1) and three equivalent In(1) atoms to form distorted AsIn3Pd4 tetrahedra that share corners with three equivalent Pd(1)In3As4 tetrahedra, corners with six equivalent As(1)In3Pd4 tetrahedra, edges with three equivalent Pd(1)In3As4 tetrahedra, and edges with six equivalent As(1)In3Pd4 tetrahedra.