data_Zn8Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   95.47
_cell_angle_beta   95.47
_cell_angle_gamma   144.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn8Ru
_chemical_formula_sum   'Zn8 Ru1'
_cell_volume   130.41
_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  Zn1  1  0.0  0.75  0.0  1.0
  Zn  Zn2  1  0.0  0.53  0.0  1.0
  Zn  Zn3  1  0.53  0.0  0.0  1.0
  Zn  Zn4  1  0.36  0.64  0.9  1.0
  Zn  Zn5  1  0.36  0.36  0.9  1.0
  Zn  Zn6  1  0.75  0.0  0.0  1.0
  Zn  Zn7  1  0.78  0.78  0.0  1.0
  Zn  Zn8  1  0.64  0.36  0.9  1.0
  Ru  Ru0  1  0.0  0.0  0.0  1.0

data_Zn8Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.8
_cell_length_b   11.71
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   107.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn8Ru
_chemical_formula_sum   'Zn16 Ru2'
_cell_volume   260.82
_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  4  0.12  0.12  -0.0  1.0
  Zn  Zn1  4  0.23  0.23  -0.0  1.0
  Zn  Zn2  4  0.4  0.14  0.9  1.0
  Zn  Zn3  2  0.04  0.5  0.9  1.0
  Zn  Zn4  2  0.22  0.0  -0.0  1.0
  Ru  Ru5  2  0.0  0.0  0.0  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Ru
Zn Zn Zn Zn Zn Zn Zn Zn Ru 0 7 - o - 0 8 o + o 0 6 - o o 0 1 o o o 1 7 - o - 2 3 o - - 2 5 o o o 3 5 o + + 3 4 o o o 4 8 o o + 4 7 o o o 4 6 o o + 5 6 o - o 5 8 + o o 6 8 + + o 