data_ZnReRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   17.88
_cell_angle_beta   17.88
_cell_angle_gamma   17.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnReRu2
_chemical_formula_sum   'Zn1 Re1 Ru2'
_cell_volume   57.37
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.0  0.0  0.09  1.0
  Ru  Ru1  1  0.0  0.0  0.52  1.0
  Ru  Ru2  1  0.0  0.0  0.66  1.0

data_ZnReRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   2.76
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   100.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnReRu2
_chemical_formula_sum   'Zn2 Re2 Ru4'
_cell_volume   114.74
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.91  1.0
  Ru  Ru2  2  0.0  0.0  0.34  1.0
  Ru  Ru3  2  0.0  0.0  0.48  1.0

Zn Re Ru Ru