data_Li2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   160.93
_cell_angle_beta   160.72
_cell_angle_gamma   27.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2WCl
_chemical_formula_sum   'Li2 W1 Cl1'
_cell_volume   67.25
_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  Li1  1  0.42  0.0  0.91  1.0
  Li  Li2  1  0.0  0.0  0.92  1.0
  W  W3  1  0.42  0.0  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.92  1.0

data_Li2WCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.86
_cell_length_c   8.54
_cell_angle_alpha   99.64
_cell_angle_beta   99.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2WCl
_chemical_formula_sum   'Li2 W1 Cl1'
_cell_volume   67.25
_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  0.08  0.08  0.08  1.0
  Li  Li1  1  0.5  0.09  0.5  1.0
  W  W2  1  0.26  0.84  0.26  1.0
  Cl  Cl3  1  0.08  0.08  0.08  1.0

Li Li W Cl 0 2 o o + 1 3 o o o 1 2 o o + 2 3 o o - 