data_NaCoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoRu2
_chemical_formula_sum   'Na1 Co1 Ru2'
_cell_volume   59.53
_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  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.37  1.0
  Ru  Ru2  1  0.3  0.3  0.59  1.0
  Ru  Ru3  1  0.3  0.3  0.16  1.0

data_NaCoRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCoRu2
_chemical_formula_sum   'Na2 Co2 Ru4'
_cell_volume   119.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.37  1.0
  Ru  Ru2  2  0.3  0.0  0.16  1.0
  Ru  Ru3  2  0.3  0.0  0.59  1.0

Na Co Ru Ru
Na Co Ru Ru 0 3 o o o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 - o o 1 2 o - o 1 2 o o o 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 