data_LiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRu2
_chemical_formula_sum   'Li2 Ru4'
_cell_volume   77.55
_cell_formula_units_Z   2
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  0.44  0.25  1.0
  Li  Li1  1  0.11  0.22  0.76  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.51  1.0
  Ru  Ru4  1  0.11  0.22  0.25  1.0
  Ru  Ru5  1  0.0  0.44  0.76  1.0

data_LiRu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.23
_cell_length_b   5.01
_cell_length_c   4.23
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiRu2
_chemical_formula_sum   'Li2 Ru4'
_cell_volume   77.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.5  0.44  1.0
  Li  Li1  1  0.11  0.0  0.22  1.0
  Ru  Ru2  2  0.0  0.25  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.44  1.0
  Ru  Ru4  1  0.11  0.5  0.22  1.0

Li Li Ru Ru Ru Ru