data_SrNi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   18.2
_cell_angle_beta   18.2
_cell_angle_gamma   18.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Ru
_chemical_formula_sum   'Sr1 Ni2 Ru1'
_cell_volume   64.89
_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
  Ni  Ni0  1  0.0  0.0  0.41  1.0
  Ni  Ni1  1  0.0  0.0  0.52  1.0
  Ru  Ru2  1  0.0  0.0  0.47  1.0

data_SrNi2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.89
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   100.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrNi2Ru
_chemical_formula_sum   'Sr2 Ni4 Ru2'
_cell_volume   129.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.59  1.0
  Ni  Ni2  2  0.0  0.0  0.48  1.0
  Ru  Ru3  2  0.0  0.0  0.53  1.0

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