data_Zn5Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Ru3
_chemical_formula_sum   'Zn5 Ru3'
_cell_volume   112.12
_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
  Zn  Zn4  1  0.83  0.06  0.0  1.0
  Zn  Zn5  1  0.83  0.94  0.0  1.0
  Zn  Zn6  1  0.39  0.0  0.97  1.0
  Zn  Zn7  1  0.94  0.0  0.97  1.0
  Ru  Ru0  1  0.67  0.0  0.0  1.0
  Ru  Ru1  1  0.67  0.92  0.97  1.0
  Ru  Ru2  1  0.67  0.08  0.97  1.0

data_Zn5Ru3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   5.34
_cell_length_c   5.34
_cell_angle_alpha   93.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Ru3
_chemical_formula_sum   'Zn5 Ru3'
_cell_volume   112.12
_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  Zn0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.83  0.06  1.0
  Zn  Zn2  1  0.0  0.83  0.94  1.0
  Zn  Zn3  1  0.97  0.39  0.0  1.0
  Zn  Zn4  1  0.97  0.94  0.0  1.0
  Ru  Ru5  1  0.0  0.67  0.0  1.0
  Ru  Ru6  1  0.97  0.67  0.08  1.0
  Ru  Ru7  1  0.97  0.67  0.92  1.0

Zn Zn Zn Zn Zn Ru Ru Ru
Zn Zn Zn Zn Zn Ru Ru Ru 0 4 - o - 1 4 o o - 1 2 o - o 2 4 o + - 3 6 o - o 3 5 o o + 3 7 o o o 5 7 o o - 5 6 o - - 