data_CoRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRu3
_chemical_formula_sum   'Co4 Ru12'
_cell_volume   209.58
_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  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.28  1.0
  Co  Co2  1  0.0  0.07  0.14  1.0
  Co  Co3  1  0.66  0.53  0.42  1.0
  Ru  Ru4  1  0.67  0.3  0.0  1.0
  Ru  Ru5  1  0.67  0.3  0.28  1.0
  Ru  Ru6  1  0.0  0.5  0.42  1.0
  Ru  Ru7  1  0.64  0.85  0.42  1.0
  Ru  Ru8  1  0.3  0.75  0.14  1.0
  Ru  Ru9  1  0.66  0.0  0.0  1.0
  Ru  Ru10  1  0.66  0.0  0.28  1.0
  Ru  Ru11  1  0.33  0.3  0.0  1.0
  Ru  Ru12  1  0.33  0.3  0.28  1.0
  Ru  Ru13  1  0.36  0.85  0.42  1.0
  Ru  Ru14  1  0.02  0.75  0.14  1.0
  Ru  Ru15  1  0.66  0.1  0.14  1.0

data_CoRu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoRu3
_chemical_formula_sum   'Co4 Ru12'
_cell_volume   209.58
_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  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.28  1.0
  Co  Co2  1  0.0  0.07  0.14  1.0
  Co  Co3  1  0.66  0.53  0.42  1.0
  Ru  Ru4  1  0.0  0.5  0.42  1.0
  Ru  Ru5  1  0.02  0.75  0.14  1.0
  Ru  Ru6  1  0.3  0.75  0.14  1.0
  Ru  Ru7  1  0.33  0.3  -0.0  1.0
  Ru  Ru8  1  0.33  0.3  0.28  1.0
  Ru  Ru9  1  0.36  0.85  0.42  1.0
  Ru  Ru10  1  0.64  0.85  0.42  1.0
  Ru  Ru11  1  0.66  0.0  -0.0  1.0
  Ru  Ru12  1  0.66  0.0  0.28  1.0
  Ru  Ru13  1  0.66  0.1  0.14  1.0
  Ru  Ru14  1  0.67  0.3  -0.0  1.0
  Ru  Ru15  1  0.67  0.3  0.28  1.0

Co Co Co Co Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru
Co Co Co Co Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru 0 2 o o o 0 11 o o o 0 14 o - o 1 2 o o o 1 12 o o o 1 14 o - o 2 11 o o o 2 12 o o o 2 14 o - o 3 12 o o o 3 7 o o o 3 5 o o o 3 6 + o o 4 11 o o o 4 15 o o o 4 9 o o o 5 12 o o o 5 15 o o o 5 10 o o o 5 6 + o o 6 13 o o o 7 10 o + o 7 13 o o o 8 14 o o o 9 15 o o o 10 15 o o o 10 13 o - o 