data_NaLi2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54
_cell_length_b   4.73
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Ru
_chemical_formula_sum   'Na1 Li2 Ru1'
_cell_volume   65.6
_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  0.0  0.0  0.73  1.0
  Li  Li0  1  0.0  0.0  0.24  1.0
  Li  Li1  1  0.27  0.36  0.39  1.0
  Ru  Ru3  1  0.27  0.36  0.3  1.0

data_NaLi2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   4.73
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLi2Ru
_chemical_formula_sum   'Na1 Li2 Ru1'
_cell_volume   65.6
_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  0.73  1.0
  Li  Li1  1  0.0  0.0  0.24  1.0
  Li  Li2  1  0.27  0.36  0.39  1.0
  Ru  Ru3  1  0.27  0.36  0.3  1.0

Na Li Li Ru
Na Li Li Ru 0 0 + o o 0 3 o o o 0 2 o o o 0 1 o o o 0 1 o o + 1 3 o o o 1 2 o o o 2 3 o o o 