data_SrNiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.44
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiRu2
_chemical_formula_sum   'Sr1 Ni1 Ru2'
_cell_volume   70.04
_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  0.6  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.41  0.72  0.25  1.0
  Ru  Ru2  1  0.41  0.72  0.95  1.0

data_SrNiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.44
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiRu2
_chemical_formula_sum   'Sr1 Ni1 Ru2'
_cell_volume   70.04
_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  0.6  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.41  0.72  0.25  1.0
  Ru  Ru3  1  0.41  0.72  0.95  1.0

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