data_LiNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   144.76
_cell_angle_beta   128.11
_cell_angle_gamma   64.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Cl
_chemical_formula_sum   'Li1 Ni2 Cl1'
_cell_volume   52.41
_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  Li1  1  0.0  0.0  0.2  1.0
  Ni  Ni2  1  0.48  0.0  0.03  1.0
  Ni  Ni3  1  0.0  0.0  0.07  1.0
  Cl  Cl0  1  0.48  0.0  0.13  1.0

data_LiNi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.28
_cell_length_c   4.89
_cell_angle_alpha   115.94
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNi2Cl
_chemical_formula_sum   'Li1 Ni2 Cl1'
_cell_volume   52.41
_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  0.2  0.2  1.0
  Ni  Ni1  1  0.0  0.03  0.55  1.0
  Ni  Ni2  1  0.0  0.07  0.07  1.0
  Cl  Cl3  1  0.0  0.13  0.65  1.0

Li Ni Ni Cl
Li Ni Ni Cl 0 2 o o o 1 3 o o o 