data_SrLa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   137.71
_cell_angle_beta   137.71
_cell_angle_gamma   61.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Ru
_chemical_formula_sum   'Sr1 La2 Ru1'
_cell_volume   113.23
_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  0.28  0.0  0.72  1.0
  La  La1  1  0.0  0.0  0.44  1.0
  Ru  Ru2  1  0.0  0.28  0.72  1.0

data_SrLa2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   6.32
_cell_angle_alpha   111.15
_cell_angle_beta   111.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Ru
_chemical_formula_sum   'Sr1 La2 Ru1'
_cell_volume   113.23
_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  Sr0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.44  0.44  0.44  1.0
  La  La2  1  0.72  0.44  0.44  1.0
  Ru  Ru3  1  0.44  0.72  0.44  1.0

Sr La La Ru
Sr La La Ru 0 3 o o - 0 3 o o o 0 3 o - - 0 1 - o - 0 1 o o - 0 1 o o o 0 2 o o - 0 2 o o o 1 2 o o o 2 3 o o o 
SrLa2Ru crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), and two equivalent Ru(1) atoms. The Sr(1)-La(2) bond length is 2.78 Å. There is one shorter (3.31 Å) and one longer (3.45 Å) Sr(1)-La(1) bond length. There is one shorter (3.31 Å) and one longer (3.45 Å) Sr(1)-Ru(1) bond length. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one La(2), and one Ru(1) atom. The La(1)-La(2) bond length is 1.28 Å. The La(1)-Ru(1) bond length is 1.81 Å. In the second La site, La(2) is bonded in a distorted single-bond geometry to one Sr(1), one La(1), and one Ru(1) atom. The La(2)-Ru(1) bond length is 1.28 Å. Ru(1) is bonded in a single-bond geometry to two equivalent Sr(1), one La(1), and one La(2) atom.