data_Cs2LiInCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.89
_cell_length_b   12.89
_cell_length_c   12.89
_cell_angle_alpha   33.18
_cell_angle_beta   33.18
_cell_angle_gamma   33.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2LiInCl6
_chemical_formula_sum   'Cs4 Li2 In2 Cl12'
_cell_volume   571.18
_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
  Cs  Cs12  1  0.0  0.0  0.59  1.0
  Cs  Cs13  1  0.0  0.0  0.91  1.0
  Cs  Cs14  1  0.0  0.0  0.6  1.0
  Cs  Cs15  1  0.0  0.0  0.92  1.0
  Li  Li18  1  0.0  0.0  0.44  1.0
  Li  Li19  1  0.0  0.0  0.07  1.0
  In  In16  1  0.0  0.0  0.0  1.0
  In  In17  1  0.0  0.0  0.25  1.0
  Cl  Cl0  1  0.0  0.17  0.87  1.0
  Cl  Cl1  1  0.88  0.92  0.87  1.0
  Cl  Cl2  1  0.12  0.92  0.87  1.0
  Cl  Cl3  1  0.75  0.01  0.79  1.0
  Cl  Cl4  1  0.25  0.01  0.79  1.0
  Cl  Cl5  1  0.0  0.98  0.79  1.0
  Cl  Cl6  1  0.0  0.02  0.72  1.0
  Cl  Cl7  1  0.75  0.99  0.72  1.0
  Cl  Cl8  1  0.25  0.99  0.72  1.0
  Cl  Cl9  1  0.88  0.08  0.64  1.0
  Cl  Cl10  1  0.12  0.08  0.64  1.0
  Cl  Cl11  1  0.0  0.83  0.64  1.0

data_Cs2LiInCl6
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   12.89
_cell_angle_alpha   73.41
_cell_angle_beta   73.41
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs2LiInCl6
_chemical_formula_sum   'Cs4 Li2 In2 Cl12'
_cell_volume   571.18
_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
  Cs  Cs0  1  0.0  0.08  0.92  1.0
  Cs  Cs1  1  0.0  0.09  0.91  1.0
  Cs  Cs2  1  0.0  0.4  0.6  1.0
  Cs  Cs3  1  0.0  0.41  0.59  1.0
  Li  Li4  1  0.0  0.56  0.44  1.0
  Li  Li5  1  0.0  0.93  0.07  1.0
  In  In6  1  0.0  0.0  0.0  1.0
  In  In7  1  0.0  0.75  0.25  1.0
  Cl  Cl8  1  0.01  0.28  0.46  1.0
  Cl  Cl9  1  0.01  0.28  0.96  1.0
  Cl  Cl10  1  0.02  0.21  0.77  1.0
  Cl  Cl11  1  0.08  0.13  0.66  1.0
  Cl  Cl12  1  0.08  0.13  0.91  1.0
  Cl  Cl13  1  0.17  0.36  0.47  1.0
  Cl  Cl14  1  0.83  0.13  0.04  1.0
  Cl  Cl15  1  0.92  0.36  0.6  1.0
  Cl  Cl16  1  0.92  0.36  0.85  1.0
  Cl  Cl17  1  0.98  0.28  0.74  1.0
  Cl  Cl18  1  0.99  0.21  0.55  1.0
  Cl  Cl19  1  0.99  0.21  0.05  1.0

Cs Cs Cs Cs Li Li In In Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl
Cs Cs Cs Cs Li Li In In Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl 0 2 o o o 0 17 - o o 0 19 o - o 1 3 o o o 1 10 o - o 1 18 o o o 2 9 - - o 2 17 - o o 2 19 o - o 3 6 o o + 3 10 o - o 4 19 o - o 4 7 o o o 5 6 o o o 5 7 o o o 5 8 o o - 6 8 o o - 9 11 o + o 9 17 o + o 9 14 + + o 9 13 + o o 10 16 o o o 10 18 o + o 11 15 o - o 11 17 o o o 12 16 o - o 13 14 o + o 13 18 o + o 14 18 o o o 15 19 + o o 16 18 o + o 