data_Li2CrCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   3.8
_cell_angle_alpha   93.25
_cell_angle_beta   93.25
_cell_angle_gamma   107.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrCl4
_chemical_formula_sum   'Li2 Cr1 Cl4'
_cell_volume   143.71
_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  0.69  0.54  0.89  1.0
  Li  Li1  1  0.69  0.46  0.89  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.64  0.0  0.76  1.0
  Cl  Cl4  1  0.74  0.67  0.0  1.0
  Cl  Cl5  1  0.48  0.0  0.03  1.0
  Cl  Cl6  1  0.74  0.33  0.0  1.0

data_Li2CrCl4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   107.2
_cell_angle_beta   93.25
_cell_angle_gamma   93.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CrCl4
_chemical_formula_sum   'Li2 Cr1 Cl4'
_cell_volume   143.71
_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  0.89  0.69  0.46  1.0
  Li  Li1  1  0.89  0.69  0.54  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  -0.0  0.74  0.33  1.0
  Cl  Cl4  1  -0.0  0.74  0.67  1.0
  Cl  Cl5  1  0.03  0.48  0.0  1.0
  Cl  Cl6  1  0.76  0.64  0.0  1.0

Li Li Cr Cl Cl Cl Cl
Li Li Cr Cl Cl Cl Cl 0 1 o o o 0 4 o o + 1 6 o o + 2 4 - - o 2 3 - o - 3 5 o o + 