data_SrNiPbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiPbAu
_chemical_formula_sum   'Sr1 Ni1 Pb1 Au1'
_cell_volume   91.92
_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
  Sr  Sr3  1  0.58  0.58  0.58  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.37  0.37  0.37  1.0
  Au  Au0  1  0.79  0.79  0.79  1.0

data_SrNiPbAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   12.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrNiPbAu
_chemical_formula_sum   'Sr3 Ni3 Pb3 Au3'
_cell_volume   275.77
_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
  Sr  Sr0  3  0.0  0.0  0.42  1.0
  Ni  Ni1  3  0.0  0.0  0.0  1.0
  Pb  Pb2  3  0.0  0.0  0.63  1.0
  Au  Au3  3  0.0  0.0  0.21  1.0

Sr Ni Pb Au
Sr Ni Pb Au 0 2 o o o 0 2 o o + 0 2 + o o 0 2 o + o 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 1 o + + 0 1 + o + 0 1 + + o 1 3 - - - 1 3 - - o 1 3 o - - 1 3 - o - 1 2 - o o 1 2 o - o 1 2 o o - 2 3 - o o 2 3 o - o 2 3 o o - 
SrNiAuPb crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted linear geometry to three equivalent Ni(1), one Au(1), and one Pb(1) atom. All Sr(1)-Ni(1) bond lengths are 3.11 Å. The Sr(1)-Au(1) bond length is 2.59 Å. The Sr(1)-Pb(1) bond length is 2.59 Å. Ni(1) is bonded in a 7-coordinate geometry to three equivalent Sr(1), one Au(1), and three equivalent Pb(1) atoms. The Ni(1)-Au(1) bond length is 2.59 Å. All Ni(1)-Pb(1) bond lengths are 2.97 Å. Au(1) is bonded in a 2-coordinate geometry to one Sr(1) and one Ni(1) atom. Pb(1) is bonded in a distorted single-bond geometry to one Sr(1) and three equivalent Ni(1) atoms.