data_SrLaRuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaRuPb
_chemical_formula_sum   'Sr1 La1 Ru1 Pb1'
_cell_volume   99.97
_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  0.0  0.0  0.0  1.0
  La  La0  1  0.84  0.84  0.84  1.0
  Ru  Ru2  1  0.68  0.68  0.68  1.0
  Pb  Pb1  1  0.53  0.53  0.53  1.0

data_SrLaRuPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLaRuPb
_chemical_formula_sum   'Sr3 La3 Ru3 Pb3'
_cell_volume   299.9
_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  0.0  1.0
  La  La1  3  0.0  0.0  0.16  1.0
  Ru  Ru2  3  0.0  0.0  0.32  1.0
  Pb  Pb3  3  0.0  0.0  0.47  1.0

Sr La Ru Pb
Sr La Ru Pb 0 1 - - - 1 2 o o o 2 3 o o o 
SrLaRuPb crystallizes in the trigonal R3m space group. Sr(1) is bonded to one La(1) and three equivalent Ru(1) atoms to form distorted SrLaRu3 trigonal pyramids that share  a cornercorner with one Ru(1)Sr3LaPb trigonal bipyramid, corners with three equivalent La(1)SrRuPb3 trigonal bipyramids, corners with six equivalent Sr(1)LaRu3 trigonal pyramids, and edges with three equivalent Pb(1)La3Ru trigonal pyramids. The Sr(1)-La(1) bond length is 2.02 Å. All Sr(1)-Ru(1) bond lengths are 3.02 Å. La(1) is bonded to one Sr(1), one Ru(1), and three equivalent Pb(1) atoms to form distorted LaSrRuPb3 trigonal bipyramids that share corners with six equivalent La(1)SrRuPb3 trigonal bipyramids,  a cornercorner with one Pb(1)La3Ru trigonal pyramid, corners with three equivalent Sr(1)LaRu3 trigonal pyramids, and edges with three equivalent Ru(1)Sr3LaPb trigonal bipyramids. The La(1)-Ru(1) bond length is 2.02 Å. All La(1)-Pb(1) bond lengths are 3.02 Å. Ru(1) is bonded to three equivalent Sr(1), one La(1), and one Pb(1) atom to form distorted RuSr3LaPb trigonal bipyramids that share corners with six equivalent Ru(1)Sr3LaPb trigonal bipyramids,  a cornercorner with one Sr(1)LaRu3 trigonal pyramid, corners with three equivalent Pb(1)La3Ru trigonal pyramids, and edges with three equivalent La(1)SrRuPb3 trigonal bipyramids. The Ru(1)-Pb(1) bond length is 2.02 Å. Pb(1) is bonded to three equivalent La(1) and one Ru(1) atom to form distorted PbLa3Ru trigonal pyramids that share  a cornercorner with one La(1)SrRuPb3 trigonal bipyramid, corners with three equivalent Ru(1)Sr3LaPb trigonal bipyramids, corners with six equivalent Pb(1)La3Ru trigonal pyramids, and edges with three equivalent Sr(1)LaRu3 trigonal pyramids.