data_In2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2PdBr
_chemical_formula_sum   'In2 Pd1 Br1'
_cell_volume   97.34
_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  0.65  0.65  0.65  1.0
  In  In2  1  0.48  0.48  0.48  1.0
  Pd  Pd3  1  0.83  0.83  0.83  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_In2PdBr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In2PdBr
_chemical_formula_sum   'In6 Pd3 Br3'
_cell_volume   292.02
_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  0.35  1.0
  In  In1  3  0.0  0.0  0.52  1.0
  Pd  Pd2  3  0.0  0.0  0.17  1.0
  Br  Br3  3  0.0  0.0  0.0  1.0

In In Pd Br
In In Pd Br 0 1 o o o 0 2 o o o 2 3 + + + 
PdIn2Br crystallizes in the trigonal R3m space group. Pd(1) is bonded to one In(1), three equivalent In(2), and one Br(1) atom to form distorted PdIn4Br trigonal bipyramids that share corners with six equivalent Pd(1)In4Br trigonal bipyramids,  a cornercorner with one In(2)InPd3 trigonal pyramid, corners with three equivalent Br(1)In3Pd trigonal pyramids, and edges with three equivalent In(1)InPdBr3 trigonal bipyramids. The Pd(1)-In(1) bond length is 2.21 Å. All Pd(1)-In(2) bond lengths are 2.99 Å. The Pd(1)-Br(1) bond length is 2.21 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Pd(1), one In(2), and three equivalent Br(1) atoms to form distorted InInPdBr3 trigonal bipyramids that share corners with six equivalent In(1)InPdBr3 trigonal bipyramids,  a cornercorner with one Br(1)In3Pd trigonal pyramid, corners with three equivalent In(2)InPd3 trigonal pyramids, and edges with three equivalent Pd(1)In4Br trigonal bipyramids. The In(1)-In(2) bond length is 2.21 Å. All In(1)-Br(1) bond lengths are 2.99 Å. In the second In site, In(2) is bonded to three equivalent Pd(1) and one In(1) atom to form InInPd3 trigonal pyramids that share  a cornercorner with one Pd(1)In4Br trigonal bipyramid, corners with three equivalent In(1)InPdBr3 trigonal bipyramids, corners with six equivalent In(2)InPd3 trigonal pyramids, and edges with three equivalent Br(1)In3Pd trigonal pyramids. Br(1) is bonded to one Pd(1) and three equivalent In(1) atoms to form BrIn3Pd trigonal pyramids that share  a cornercorner with one In(1)InPdBr3 trigonal bipyramid, corners with three equivalent Pd(1)In4Br trigonal bipyramids, corners with six equivalent Br(1)In3Pd trigonal pyramids, and edges with three equivalent In(2)InPd3 trigonal pyramids.