data_LiPRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   3.54
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   103.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPRu2
_chemical_formula_sum   'Li1 P1 Ru2'
_cell_volume   53.04
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.38  0.0  0.59  1.0
  Ru  Ru2  1  0.12  0.77  0.78  1.0
  Ru  Ru3  1  0.54  0.77  0.39  1.0

data_LiPRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.54
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   103.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPRu2
_chemical_formula_sum   'Li1 P1 Ru2'
_cell_volume   53.04
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.38  0.0  0.59  1.0
  Ru  Ru2  1  0.12  0.77  0.78  1.0
  Ru  Ru3  1  0.54  0.77  0.39  1.0

Li P Ru Ru
Li P Ru Ru 0 2 o - - 1 2 o - o 1 3 o - o 