data_Na2CoRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.53
_cell_length_b   5.0
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CoRu
_chemical_formula_sum   'Na2 Co1 Ru1'
_cell_volume   65.74
_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
  Na  Na1  1  0.26  0.5  0.31  1.0
  Na  Na2  1  0.26  0.5  0.9  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.6  1.0

data_Na2CoRu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.53
_cell_length_b   5.0
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2CoRu
_chemical_formula_sum   'Na2 Co1 Ru1'
_cell_volume   65.74
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Na  Na0  1  0.26  0.5  0.31  1.0
  Na  Na1  1  0.26  0.5  0.9  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.6  1.0

Na Na Co Ru
Na Na Co Ru 0 0 + o o 0 1 o o - 1 2 o o + 1 2 o + + 1 1 + o o 2 2 + o o 2 3 o o - 3 3 + o o 
Na2RuCo crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to two equivalent Na(1), two equivalent Na(2), two equivalent Ru(1), and two equivalent Co(1) atoms. Both Na(1)-Na(1) bond lengths are 2.53 Å. There is one shorter (2.12 Å) and one longer (3.08 Å) Na(1)-Na(2) bond length. There is one shorter (3.00 Å) and one longer (3.02 Å) Na(1)-Ru(1) bond length. There is one shorter (3.04 Å) and one longer (3.05 Å) Na(1)-Co(1) bond length. In the second Na site, Na(2) is bonded in a 12-coordinate geometry to two equivalent Na(1), two equivalent Na(2), four equivalent Ru(1), and four equivalent Co(1) atoms. Both Na(2)-Na(2) bond lengths are 2.53 Å. There are a spread of Na(2)-Ru(1) bond distances ranging from 3.00-3.48 Å. There are a spread of Na(2)-Co(1) bond distances ranging from 2.63-3.16 Å. Ru(1) is bonded in a 1-coordinate geometry to two equivalent Na(1), four equivalent Na(2), and one Co(1) atom. The Ru(1)-Co(1) bond length is 2.06 Å. Co(1) is bonded in a 3-coordinate geometry to two equivalent Na(1), four equivalent Na(2), and one Ru(1) atom.