data_LiIn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   4.09
_cell_angle_alpha   107.48
_cell_angle_beta   107.48
_cell_angle_gamma   126.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn2Cl
_chemical_formula_sum   'Li1 In2 Cl1'
_cell_volume   104.19
_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  0.0  1.0
  In  In1  1  0.09  0.06  0.51  1.0
  In  In2  1  0.09  0.94  0.51  1.0
  Cl  Cl0  1  0.93  0.0  0.0  1.0

data_LiIn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.34
_cell_length_c   6.57
_cell_angle_alpha   108.64
_cell_angle_beta   107.48
_cell_angle_gamma   91.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIn2Cl
_chemical_formula_sum   'Li1 In2 Cl1'
_cell_volume   104.19
_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
  In  In1  1  0.45  0.94  0.03  1.0
  In  In2  1  0.58  0.06  0.15  1.0
  Cl  Cl3  1  -0.0  0.0  0.93  1.0

Li In In Cl
Li In In Cl 0 3 - o o 1 2 o - o 