data_LiIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   156.87
_cell_angle_beta   154.32
_cell_angle_gamma   34.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIrCl2
_chemical_formula_sum   'Li1 Ir1 Cl2'
_cell_volume   81.4
_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  Li3  1  0.0  0.0  0.91  1.0
  Ir  Ir2  1  0.0  0.74  0.45  1.0
  Cl  Cl0  1  0.0  0.74  0.28  1.0
  Cl  Cl1  1  0.0  0.0  0.75  1.0

data_LiIrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.48
_cell_length_c   7.82
_cell_angle_alpha   102.84
_cell_angle_beta   101.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIrCl2
_chemical_formula_sum   'Li1 Ir1 Cl2'
_cell_volume   81.4
_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  0.91  0.91  1.0
  Ir  Ir1  1  0.26  0.71  0.71  1.0
  Cl  Cl2  1  0.0  0.75  0.75  1.0
  Cl  Cl3  1  0.26  0.55  0.55  1.0

Li Ir Cl Cl