data_SrLaSnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLaSnRu
_chemical_formula_sum   'Sr1 La1 Sn1 Ru1'
_cell_volume   98.95
_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
  Sn  Sn2  1  0.67  0.67  0.67  1.0
  Ru  Ru1  1  0.51  0.51  0.51  1.0

data_SrLaSnRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrLaSnRu
_chemical_formula_sum   'Sr3 La3 Sn3 Ru3'
_cell_volume   296.85
_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
  Sn  Sn2  3  0.0  0.0  0.33  1.0
  Ru  Ru3  3  0.0  0.0  0.49  1.0

Sr La Sn Ru
Sr La Sn Ru 0 1 - - - 1 2 o o o 2 3 o o o 
SrLaRuSn crystallizes in the trigonal R3m space group. Sr(1) is bonded to one La(1) and three equivalent Sn(1) atoms to form distorted SrLaSn3 trigonal pyramids that share  a cornercorner with one Sn(1)Sr3LaRu trigonal bipyramid, corners with three equivalent La(1)SrSnRu3 trigonal bipyramids, corners with six equivalent Sr(1)LaSn3 trigonal pyramids, and edges with three equivalent Ru(1)La3Sn trigonal pyramids. The Sr(1)-La(1) bond length is 2.09 Å. All Sr(1)-Sn(1) bond lengths are 3.00 Å. La(1) is bonded to one Sr(1), three equivalent Ru(1), and one Sn(1) atom to form distorted LaSrSnRu3 trigonal bipyramids that share corners with six equivalent La(1)SrSnRu3 trigonal bipyramids,  a cornercorner with one Ru(1)La3Sn trigonal pyramid, corners with three equivalent Sr(1)LaSn3 trigonal pyramids, and edges with three equivalent Sn(1)Sr3LaRu trigonal bipyramids. All La(1)-Ru(1) bond lengths are 3.00 Å. The La(1)-Sn(1) bond length is 2.09 Å. Ru(1) is bonded to three equivalent La(1) and one Sn(1) atom to form distorted RuLa3Sn trigonal pyramids that share  a cornercorner with one La(1)SrSnRu3 trigonal bipyramid, corners with three equivalent Sn(1)Sr3LaRu trigonal bipyramids, corners with six equivalent Ru(1)La3Sn trigonal pyramids, and edges with three equivalent Sr(1)LaSn3 trigonal pyramids. The Ru(1)-Sn(1) bond length is 2.09 Å. Sn(1) is bonded to three equivalent Sr(1), one La(1), and one Ru(1) atom to form distorted SnSr3LaRu trigonal bipyramids that share corners with six equivalent Sn(1)Sr3LaRu trigonal bipyramids,  a cornercorner with one Sr(1)LaSn3 trigonal pyramid, corners with three equivalent Ru(1)La3Sn trigonal pyramids, and edges with three equivalent La(1)SrSnRu3 trigonal bipyramids.