data_NiBi2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   120.86
_cell_angle_beta   120.86
_cell_angle_gamma   88.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBi2Pd
_chemical_formula_sum   'Ni1 Bi2 Pd1'
_cell_volume   82.72
_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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.42  0.76  1.0
  Bi  Bi1  1  0.42  0.0  0.76  1.0
  Pd  Pd3  1  0.0  0.0  0.52  1.0

data_NiBi2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   134.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiBi2Pd
_chemical_formula_sum   'Ni2 Bi4 Pd2'
_cell_volume   165.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  4  0.45  0.21  0.67  1.0
  Pd  Pd2  2  0.48  0.0  0.48  1.0

Ni Bi Bi Pd
Ni Bi Bi Pd 0 1 o o - 0 1 o - - 0 2 - o - 0 2 o o - 0 3 o o - 0 3 o o o 1 3 o o o 2 3 o o o 
PdNiBi2 crystallizes in the monoclinic Cm space group. Pd(1) is bonded in a distorted see-saw-like geometry to two equivalent Ni(1) and two equivalent Bi(1) atoms. There is one shorter (2.37 Å) and one longer (2.55 Å) Pd(1)-Ni(1) bond length. Both Pd(1)-Bi(1) bond lengths are 1.79 Å. Ni(1) is bonded in a distorted see-saw-like geometry to two equivalent Pd(1) and two equivalent Bi(1) atoms. Both Ni(1)-Bi(1) bond lengths are 2.44 Å. Bi(1) is bonded in a 2-coordinate geometry to one Pd(1) and one Ni(1) atom.