data_NbCoBiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoBiPd
_chemical_formula_sum   'Nb1 Co1 Bi1 Pd1'
_cell_volume   68.74
_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
  Nb  Nb2  1  0.25  0.25  0.25  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.63  0.63  0.63  1.0
  Pd  Pd3  1  0.88  0.88  0.88  1.0

data_NbCoBiPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbCoBiPd
_chemical_formula_sum   'Nb3 Co3 Bi3 Pd3'
_cell_volume   206.23
_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
  Nb  Nb0  3  0.0  0.0  0.75  1.0
  Co  Co1  3  0.0  0.0  0.0  1.0
  Bi  Bi2  3  0.0  0.0  0.37  1.0
  Pd  Pd3  3  0.0  0.0  0.12  1.0

Nb Co Bi Pd
Nb Co Bi Pd 0 1 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 1 2 o - - 1 2 - o - 1 2 - - o 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
NbCoPdBi crystallizes in the trigonal R3m space group. Nb(1) is bonded in a 10-coordinate geometry to four equivalent Co(1), three equivalent Pd(1), and three equivalent Bi(1) atoms. There are three shorter (2.81 Å) and one longer (2.83 Å) Nb(1)-Co(1) bond length. All Nb(1)-Pd(1) bond lengths are 2.69 Å. All Nb(1)-Bi(1) bond lengths are 2.69 Å. Co(1) is bonded in a single-bond geometry to four equivalent Nb(1), one Pd(1), and three equivalent Bi(1) atoms. The Co(1)-Pd(1) bond length is 1.38 Å. All Co(1)-Bi(1) bond lengths are 2.69 Å. Pd(1) is bonded in a single-bond geometry to three equivalent Nb(1), one Co(1), and four equivalent Bi(1) atoms. There are three shorter (2.81 Å) and one longer (2.83 Å) Pd(1)-Bi(1) bond length. Bi(1) is bonded in a 10-coordinate geometry to three equivalent Nb(1), three equivalent Co(1), and four equivalent Pd(1) atoms.