data_LiPdBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64
_cell_length_b   3.7
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPdBr2
_chemical_formula_sum   'Li1 Pd1 Br2'
_cell_volume   102.28
_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
  Li  Li2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.85  0.8  1.0
  Br  Br0  1  0.82  0.85  0.0  1.0
  Br  Br1  1  0.82  0.0  0.8  1.0

data_LiPdBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.7
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPdBr2
_chemical_formula_sum   'Li1 Pd1 Br2'
_cell_volume   102.28
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.85  0.8  1.0
  Br  Br2  1  0.82  0.0  0.8  1.0
  Br  Br3  1  0.82  0.85  -0.0  1.0

Li Pd Br Br
LiPdBr2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiPdBr2 cluster. Li(1) is bonded in a distorted single-bond geometry to one Br(1) and one Br(2) atom. The Li(1)-Br(1) bond length is 0.86 Å. The Li(1)-Br(2) bond length is 1.66 Å. Pd(1) is bonded in a 1-coordinate geometry to one Br(2) atom. The Pd(1)-Br(2) bond length is 0.86 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Li(1) atom. In the second Br site, Br(2) is bonded in a 2-coordinate geometry to one Li(1) and one Pd(1) atom.