data_LiPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPdRu2
_chemical_formula_sum   'Li1 Pd1 Ru2'
_cell_volume   57.97
_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  0.5  1.0
  Pd  Pd1  1  0.4  0.0  0.34  1.0
  Ru  Ru2  1  0.0  0.0  0.98  1.0
  Ru  Ru3  1  0.4  0.0  0.8  1.0

data_LiPdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   2.68
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiPdRu2
_chemical_formula_sum   'Li1 Pd1 Ru2'
_cell_volume   57.97
_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  0.5  1.0
  Ru  Ru1  1  0.0  0.0  0.98  1.0
  Pd  Pd2  1  0.4  0.0  0.34  1.0
  Ru  Ru3  1  0.4  0.0  0.8  1.0

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