data_LiRuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   140.74
_cell_angle_beta   140.74
_cell_angle_gamma   56.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRuCl2
_chemical_formula_sum   'Li1 Ru1 Cl2'
_cell_volume   61.84
_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  Li2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.81  0.0  0.37  1.0
  Cl  Cl0  1  0.0  0.0  0.73  1.0
  Cl  Cl1  1  0.0  0.81  0.37  1.0

data_LiRuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   5.38
_cell_angle_alpha   109.63
_cell_angle_beta   109.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiRuCl2
_chemical_formula_sum   'Li1 Ru1 Cl2'
_cell_volume   61.84
_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
  Ru  Ru1  1  0.37  0.56  0.56  1.0
  Cl  Cl2  1  0.56  0.37  0.56  1.0
  Cl  Cl3  1  0.73  0.73  0.73  1.0

Li Ru Cl Cl