data_Li2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   151.87
_cell_angle_beta   138.26
_cell_angle_gamma   51.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RuCl
_chemical_formula_sum   'Li2 Ru1 Cl1'
_cell_volume   62.65
_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  Li1  1  0.42  0.0  0.52  1.0
  Li  Li2  1  0.0  0.0  0.73  1.0
  Ru  Ru3  1  0.42  0.0  0.81  1.0
  Cl  Cl0  1  0.0  0.0  0.79  1.0

data_Li2RuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.17
_cell_length_c   5.85
_cell_angle_alpha   110.87
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2RuCl
_chemical_formula_sum   'Li2 Ru1 Cl1'
_cell_volume   62.65
_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  0.52  0.1  1.0
  Li  Li1  1  0.0  0.73  0.73  1.0
  Ru  Ru2  1  0.0  0.81  0.39  1.0
  Cl  Cl3  1  0.0  0.79  0.79  1.0

Li Li Ru Cl
Li Li Ru Cl 0 2 o o o 1 3 o o o 