data_LiCrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   3.67
_cell_angle_alpha   91.09
_cell_angle_beta   91.09
_cell_angle_gamma   33.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrCl2
_chemical_formula_sum   'Li1 Cr1 Cl2'
_cell_volume   83.1
_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  0.44  0.0  0.16  1.0
  Cr  Cr2  1  0.85  0.0  0.41  1.0
  Cl  Cl0  1  0.04  0.0  0.25  1.0
  Cl  Cl1  1  0.19  0.0  0.35  1.0

data_LiCrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.69
_cell_length_c   6.41
_cell_angle_alpha   106.71
_cell_angle_beta   91.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCrCl2
_chemical_formula_sum   'Li1 Cr1 Cl2'
_cell_volume   83.1
_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  0.84  0.0  0.56  1.0
  Cr  Cr1  1  0.59  0.0  0.15  1.0
  Cl  Cl2  1  0.65  0.0  0.81  1.0
  Cl  Cl3  1  0.75  0.0  0.96  1.0

Li Cr Cl Cl
Li Cr Cl Cl 0 3 o o o 1 2 + o o 2 3 o o o 