data_Sr2YRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.22
_cell_length_b   9.22
_cell_length_c   9.22
_cell_angle_alpha   157.9
_cell_angle_beta   151.42
_cell_angle_gamma   36.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YRu
_chemical_formula_sum   'Sr2 Y1 Ru1'
_cell_volume   140.95
_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  Sr1  1  0.77  0.0  0.04  1.0
  Sr  Sr2  1  0.0  0.28  0.71  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ru  Ru0  1  0.0  0.0  0.76  1.0

data_Sr2YRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.55
_cell_length_c   9.22
_cell_angle_alpha   104.29
_cell_angle_beta   101.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YRu
_chemical_formula_sum   'Sr2 Y1 Ru1'
_cell_volume   140.95
_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  Sr0  1  0.0  0.04  0.28  1.0
  Sr  Sr1  1  0.72  0.44  0.44  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.76  0.76  1.0

Sr Sr Y Ru
Sr Sr Y Ru 0 2 + o o 0 1 + o o 2 3 o o - 