data_LiCuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   6.46
_cell_angle_alpha   90.13
_cell_angle_beta   90.13
_cell_angle_gamma   57.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuCl2
_chemical_formula_sum   'Li1 Cu1 Cl2'
_cell_volume   81.25
_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
  Cu  Cu2  1  0.38  0.0  0.23  1.0
  Cl  Cl0  1  0.32  0.0  0.38  1.0
  Cl  Cl1  1  0.43  0.0  0.08  1.0

data_LiCuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.86
_cell_length_c   6.46
_cell_angle_alpha   90.13
_cell_angle_beta   90.0
_cell_angle_gamma   118.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuCl2
_chemical_formula_sum   'Li1 Cu1 Cl2'
_cell_volume   81.25
_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
  Cu  Cu1  1  0.0  0.62  0.77  1.0
  Cl  Cl2  1  0.0  0.57  0.92  1.0
  Cl  Cl3  1  0.0  0.68  0.62  1.0

Li Cu Cl Cl
Li Cu Cl Cl 0 3 o o o 0 1 o o o 1 2 o o o 1 3 o o o 