data_Sr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   101.8
_cell_angle_beta   101.8
_cell_angle_gamma   126.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ru
_chemical_formula_sum   'Sr4 Ru2'
_cell_volume   183.68
_cell_formula_units_Z   2
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  Sr2  1  0.39  0.61  0.87  1.0
  Sr  Sr3  1  0.61  0.39  0.0  1.0
  Sr  Sr4  1  0.39  0.39  0.0  1.0
  Sr  Sr5  1  0.61  0.61  0.87  1.0
  Ru  Ru0  1  0.0  0.0  0.43  1.0
  Ru  Ru1  1  0.0  0.0  0.3  1.0

data_Sr2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   78.2
_cell_angle_beta   63.11
_cell_angle_gamma   63.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Ru
_chemical_formula_sum   'Sr4 Ru2'
_cell_volume   183.68
_cell_formula_units_Z   2
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  0.39  0.23  0.0  1.0
  Sr  Sr1  1  0.39  1.0  -0.0  1.0
  Sr  Sr2  1  0.61  0.0  0.13  1.0
  Sr  Sr3  1  0.61  0.77  0.13  1.0
  Ru  Ru4  1  0.0  0.0  0.57  1.0
  Ru  Ru5  1  0.0  0.0  0.7  1.0

Sr Sr Sr Sr Ru Ru
Sr Sr Sr Sr Ru Ru 0 3 o o o 1 2 o o o 4 5 o o o 