data_Co2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59
_cell_length_b   8.59
_cell_length_c   8.59
_cell_angle_alpha   159.37
_cell_angle_beta   159.37
_cell_angle_gamma   29.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Ru
_chemical_formula_sum   'Co4 Ru2'
_cell_volume   78.66
_cell_formula_units_Z   2
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
  Co  Co0  1  0.54  0.0  0.9  1.0
  Co  Co1  1  0.54  0.0  0.41  1.0
  Co  Co2  1  0.0  0.0  0.06  1.0
  Co  Co3  1  0.0  0.0  0.56  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.0  0.54  0.15  1.0

data_Co2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.08
_cell_length_c   8.59
_cell_angle_alpha   100.32
_cell_angle_beta   100.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2Ru
_chemical_formula_sum   'Co4 Ru2'
_cell_volume   78.66
_cell_formula_units_Z   2
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
  Co  Co0  1  0.1  0.0  0.64  1.0
  Co  Co1  1  0.44  0.0  0.44  1.0
  Co  Co2  1  0.59  0.0  0.13  1.0
  Co  Co3  1  0.94  0.0  0.94  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.38  0.54  0.38  1.0

Co Co Co Co Ru Ru
Co Co Co Co Ru Ru 0 5 o - o 0 3 o o o 0 3 + o + 0 2 + o + 1 4 o o o 1 4 + o + 1 2 o o o 2 4 o o o 3 5 o - o 