data_ZnNi6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi6Ru
_chemical_formula_sum   'Zn4 Ni24 Ru4'
_cell_volume   369.66
_cell_formula_units_Z   4
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  Zn28  1  0.59  0.47  0.0  1.0
  Zn  Zn29  1  0.59  0.53  0.0  1.0
  Zn  Zn30  1  0.0  0.0  0.63  1.0
  Zn  Zn31  1  0.0  0.0  0.52  1.0
  Ni  Ni0  1  0.59  0.47  0.6  1.0
  Ni  Ni1  1  0.8  0.74  0.88  1.0
  Ni  Ni2  1  0.38  0.26  0.88  1.0
  Ni  Ni3  1  0.59  0.53  0.6  1.0
  Ni  Ni4  1  0.38  0.74  0.88  1.0
  Ni  Ni5  1  0.8  0.26  0.88  1.0
  Ni  Ni6  1  0.0  0.0  0.07  1.0
  Ni  Ni7  1  0.38  0.27  0.34  1.0
  Ni  Ni8  1  0.38  0.73  0.34  1.0
  Ni  Ni9  1  0.59  0.47  0.54  1.0
  Ni  Ni10  1  0.8  0.73  0.8  1.0
  Ni  Ni11  1  0.38  0.27  0.8  1.0
  Ni  Ni12  1  0.59  0.53  0.54  1.0
  Ni  Ni13  1  0.38  0.73  0.8  1.0
  Ni  Ni14  1  0.8  0.27  0.8  1.0
  Ni  Ni15  1  0.0  0.0  0.0  1.0
  Ni  Ni16  1  0.38  0.26  0.26  1.0
  Ni  Ni17  1  0.38  0.74  0.26  1.0
  Ni  Ni18  1  0.59  0.0  0.07  1.0
  Ni  Ni19  1  0.8  0.27  0.34  1.0
  Ni  Ni20  1  0.8  0.73  0.34  1.0
  Ni  Ni21  1  0.59  0.0  0.0  1.0
  Ni  Ni22  1  0.8  0.26  0.26  1.0
  Ni  Ni23  1  0.8  0.74  0.26  1.0
  Ru  Ru24  1  0.59  0.47  0.07  1.0
  Ru  Ru25  1  0.59  0.53  0.07  1.0
  Ru  Ru26  1  0.59  0.0  0.65  1.0
  Ru  Ru27  1  0.59  0.0  0.49  1.0

data_ZnNi6Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   10.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi6Ru
_chemical_formula_sum   'Zn4 Ni24 Ru4'
_cell_volume   369.66
_cell_formula_units_Z   4
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  0.52  1.0
  Zn  Zn1  1  0.0  0.0  0.63  1.0
  Zn  Zn2  1  0.59  0.47  0.0  1.0
  Zn  Zn3  1  0.59  0.53  0.0  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.07  1.0
  Ni  Ni6  1  0.38  0.27  0.34  1.0
  Ni  Ni7  1  0.38  0.27  0.8  1.0
  Ni  Ni8  1  0.38  0.73  0.34  1.0
  Ni  Ni9  1  0.38  0.73  0.8  1.0
  Ni  Ni10  1  0.38  0.26  0.26  1.0
  Ni  Ni11  1  0.38  0.26  0.88  1.0
  Ni  Ni12  1  0.38  0.74  0.26  1.0
  Ni  Ni13  1  0.38  0.74  0.88  1.0
  Ni  Ni14  1  0.59  0.0  0.0  1.0
  Ni  Ni15  1  0.59  0.0  0.07  1.0
  Ni  Ni16  1  0.59  0.47  0.54  1.0
  Ni  Ni17  1  0.59  0.47  0.6  1.0
  Ni  Ni18  1  0.59  0.53  0.54  1.0
  Ni  Ni19  1  0.59  0.53  0.6  1.0
  Ni  Ni20  1  0.8  0.26  0.26  1.0
  Ni  Ni21  1  0.8  0.26  0.88  1.0
  Ni  Ni22  1  0.8  0.74  0.26  1.0
  Ni  Ni23  1  0.8  0.74  0.88  1.0
  Ni  Ni24  1  0.8  0.27  0.34  1.0
  Ni  Ni25  1  0.8  0.27  0.8  1.0
  Ni  Ni26  1  0.8  0.73  0.34  1.0
  Ni  Ni27  1  0.8  0.73  0.8  1.0
  Ru  Ru28  1  0.59  0.0  0.49  1.0
  Ru  Ru29  1  0.59  0.0  0.65  1.0
  Ru  Ru30  1  0.59  0.47  0.07  1.0
  Ru  Ru31  1  0.59  0.53  0.07  1.0

Zn Zn Zn Zn Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ru Ru Ru Ru
Zn Zn Zn Zn Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ru Ru Ru Ru 0 1 o o o 2 3 o o o 4 7 o o o 5 14 o o o 6 15 o o o 8 17 o o o 9 18 o o o 10 19 o o o 11 20 o o o 12 21 o o o 13 16 o o o 22 25 o o o 23 26 o o o 24 27 o o o 28 29 o o o 30 31 o o o 