data_NaAl2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   4.44
_cell_angle_alpha   113.32
_cell_angle_beta   113.32
_cell_angle_gamma   32.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Ru
_chemical_formula_sum   'Na1 Al2 Ru1'
_cell_volume   65.78
_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  Na2  1  0.16  0.0  0.98  1.0
  Al  Al0  1  0.23  0.0  0.14  1.0
  Al  Al1  1  0.35  0.0  0.06  1.0
  Ru  Ru3  1  0.23  0.0  0.89  1.0

data_NaAl2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.44
_cell_length_c   5.47
_cell_angle_alpha   113.32
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Ru
_chemical_formula_sum   'Na1 Al2 Ru1'
_cell_volume   65.78
_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  0.98  0.16  1.0
  Al  Al1  1  0.0  0.06  0.35  1.0
  Al  Al2  1  0.0  0.14  0.23  1.0
  Ru  Ru3  1  0.0  0.89  0.23  1.0

Na Al Al Ru