data_NaNiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   150.85
_cell_angle_beta   128.33
_cell_angle_gamma   60.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiRu2
_chemical_formula_sum   'Na1 Ni1 Ru2'
_cell_volume   58.86
_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  Na0  1  0.0  0.0  0.72  1.0
  Ni  Ni1  1  0.0  0.34  0.48  1.0
  Ru  Ru2  1  0.0  0.0  0.27  1.0
  Ru  Ru3  1  0.35  0.0  0.11  1.0

data_NaNiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.68
_cell_length_c   5.37
_cell_angle_alpha   115.83
_cell_angle_beta   104.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNiRu2
_chemical_formula_sum   'Na1 Ni1 Ru2'
_cell_volume   58.86
_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  Na0  1  0.28  0.28  0.28  1.0
  Ni  Ni1  1  0.52  0.86  0.86  1.0
  Ru  Ru2  1  0.24  0.89  0.24  1.0
  Ru  Ru3  1  0.73  0.73  0.73  1.0

Na Ni Ru Ru