data_SrRe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRe2Ru
_chemical_formula_sum   'Sr1 Re2 Ru1'
_cell_volume   71.07
_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
  Re  Re0  1  0.34  0.41  0.37  1.0
  Re  Re1  1  0.34  0.59  0.37  1.0
  Ru  Ru2  1  0.68  0.0  0.0  1.0

data_SrRe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.37
_cell_length_c   5.52
_cell_angle_alpha   119.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrRe2Ru
_chemical_formula_sum   'Sr1 Re2 Ru1'
_cell_volume   71.07
_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
  Re  Re1  1  0.37  0.41  0.75  1.0
  Re  Re2  1  0.37  0.59  0.93  1.0
  Ru  Ru3  1  0.0  0.0  0.68  1.0

Sr Re Re Ru
Sr Re Re Ru 0 3 - o o 1 2 o o o 