data_LaInRuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaInRuPb
_chemical_formula_sum   'La1 In1 Ru1 Pb1'
_cell_volume   96.56
_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
  La  La1  1  0.82  0.82  0.82  1.0
  In  In0  1  0.64  0.64  0.64  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.46  0.46  0.46  1.0

data_LaInRuPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaInRuPb
_chemical_formula_sum   'La3 In3 Ru3 Pb3'
_cell_volume   289.68
_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
  La  La0  3  0.0  0.0  0.18  1.0
  In  In1  3  0.0  0.0  0.36  1.0
  Ru  Ru2  3  0.0  0.0  1.0  1.0
  Pb  Pb3  3  0.0  0.0  0.54  1.0

La In Ru Pb
La In Ru Pb 0 1 o o o 0 2 + + + 1 3 o o o 
LaRuInPb crystallizes in the trigonal R3m space group. La(1) is bonded to one Ru(1), one In(1), and three equivalent Pb(1) atoms to form distorted LaInRuPb3 trigonal bipyramids that share corners with six equivalent La(1)InRuPb3 trigonal bipyramids and  a cornercorner with one Pb(1)La3In trigonal pyramid. The La(1)-Ru(1) bond length is 2.26 Å. The La(1)-In(1) bond length is 2.26 Å. All La(1)-Pb(1) bond lengths are 2.99 Å. Ru(1) is bonded in a distorted single-bond geometry to one La(1) atom. In(1) is bonded in a distorted linear geometry to one La(1) and one Pb(1) atom. The In(1)-Pb(1) bond length is 2.26 Å. Pb(1) is bonded to three equivalent La(1) and one In(1) atom to form distorted PbLa3In trigonal pyramids that share  a cornercorner with one La(1)InRuPb3 trigonal bipyramid and corners with six equivalent Pb(1)La3In trigonal pyramids.