data_CoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRu2
_chemical_formula_sum   'Co4 Ru8'
_cell_volume   173.89
_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
  Co  Co0  1  0.0  0.87  0.8  1.0
  Co  Co1  1  0.0  0.87  0.27  1.0
  Co  Co2  1  0.48  0.43  0.88  1.0
  Co  Co3  1  0.48  0.43  0.34  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.0  0.0  0.07  1.0
  Ru  Ru6  1  0.0  0.49  0.11  1.0
  Ru  Ru7  1  0.81  0.56  0.11  1.0
  Ru  Ru8  1  0.29  0.74  0.04  1.0
  Ru  Ru9  1  0.19  0.56  0.11  1.0
  Ru  Ru10  1  0.68  0.74  0.04  1.0
  Ru  Ru11  1  0.48  0.81  0.04  1.0

data_CoRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRu2
_chemical_formula_sum   'Co4 Ru8'
_cell_volume   173.89
_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
  Co  Co0  1  0.0  0.87  0.27  1.0
  Co  Co1  1  0.0  0.87  0.8  1.0
  Co  Co2  1  0.48  0.43  0.34  1.0
  Co  Co3  1  0.48  0.43  0.88  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.0  0.0  0.07  1.0
  Ru  Ru6  1  0.0  0.49  0.11  1.0
  Ru  Ru7  1  0.19  0.56  0.11  1.0
  Ru  Ru8  1  0.29  0.74  0.04  1.0
  Ru  Ru9  1  0.48  0.81  0.04  1.0
  Ru  Ru10  1  0.68  0.74  0.04  1.0
  Ru  Ru11  1  0.81  0.56  0.11  1.0

Co Co Co Co Ru Ru Ru Ru Ru Ru Ru Ru