data_Zn5Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   6.5
_cell_angle_alpha   104.52
_cell_angle_beta   104.52
_cell_angle_gamma   30.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Ru
_chemical_formula_sum   'Zn5 Ru1'
_cell_volume   87.13
_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  0.47  0.0  0.71  1.0
  Zn  Zn2  1  0.09  0.0  0.08  1.0
  Zn  Zn3  1  0.5  0.0  0.87  1.0
  Zn  Zn4  1  0.23  0.0  0.22  1.0
  Zn  Zn5  1  0.62  0.0  0.95  1.0
  Ru  Ru0  1  0.31  0.0  0.25  1.0

data_Zn5Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   5.19
_cell_length_c   6.5
_cell_angle_alpha   104.52
_cell_angle_beta   90.0
_cell_angle_gamma   105.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn5Ru
_chemical_formula_sum   'Zn5 Ru1'
_cell_volume   87.13
_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  0.38  0.05  1.0
  Zn  Zn1  1  0.0  0.5  0.13  1.0
  Zn  Zn2  1  0.0  0.53  0.29  1.0
  Zn  Zn3  1  0.0  0.77  0.78  1.0
  Zn  Zn4  1  0.0  0.91  0.92  1.0
  Ru  Ru5  1  0.0  0.69  0.75  1.0

Zn Zn Zn Zn Zn Ru